Basic information
- CAS
2015-14-7- Standard SMILES
CC(=O)NCc1ccc(S(N)(=O)=O)cc1- InChIKey
AHQONKCJXWTTOW-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.05686324
Names & identifiers
- Preferred name
- N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
- IUPAC
- N-[(4-sulfamoylphenyl)methyl]acetamide
- English name
- 4-(Acetamidomethyl)benzenesulfamide
- Molecular formula
- C9H12N2O3S
- Molecular weight
- 228.27
Names & synonyms
2015-14-7N-((4-(Aminosulphonyl)phenyl)methyl)acetamideEINECS 217-942-5DTXSID50173975NSC 29831N-[[4-(AMINOSULPHONYL)PHENYL]METHYL]ACETAMIDERefChem:823015DTXCID7096466217-942-5N-[(4-sulfamoylphenyl)methyl]acetamiden-(4-sulfamoylbenzyl)acetamideAcetamide, N-[[4-(aminosulfonyl)phenyl]methyl]-
Show more names
4-(Acetamidomethyl)benzenesulfamide4-(Acetamidomethyl)-benzenesulfonamideN-[(4-sulfamoylphenyl)methyl]ethanamide4-(Acetylaminomethyl)benzenesulfonamide
N-[4-(aminosulfonyl)benzyl]acetamiden-[[4-(aminosulfonyl)phenyl]methyl]acetamideNSC-29831p-acetaminomethylbenzenesulfonamideAcetamide, N-(p-sulfamoylbenzyl)-NSC29831p-acetylaminomethylbenzenesulfonamideT0S
Database identifiers
- CAS
2015-14-7- PubChem CID
- 74833
- DTXSID
DTXSID50173975- ChEMBL
CHEMBL72962- UNII
- 42A7EN65HG
- EC Number
- 217-942-5
- Nikkaji
- J38.353H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 177 °C · 177 °C
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.10(Predicted)
- form
- solid
- InChI
- 1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
- InChIKey
- AHQONKCJXWTTOW-UHFFFAOYSA-N
- SMILES
- O=S(C(C=C1)=CC=C1CNC(C)=O)(N)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-(Acetamidomethyl)benzenesulfamide is an important intermediate in the manufacture of 4- (aminomethyl)benzenesulfonamide.
Upstream & downstream products
Upstream raw materials
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
武汉鹏垒生物科技有限公司15871464247 17307245989 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
济南佳创医药科技有限公司15063360100 · [email protected]
商丘市建盟新能源科技有限公司19711218988 18238092829 · [email protected]
Related reactions
2 records
Compound notes
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