Basic information
- CAS
55990-13-1- Standard SMILES
Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)O)c1- InChIKey
GLOSXPMJTFDWRO-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4S
- Average molar mass
- 292.31 g/mol
- Monoisotopic mass
- 292.05177804
Names & identifiers
- Preferred name
- 2-(3-Aminobenzenesulfonamido)benzoic acid
- IUPAC
- 2-[(3-aminophenyl)sulfonylamino]benzoic acid
- English name
- 2-(3-AMINO-BENZENESULFONYLAMINO)-BENZOIC ACID
- Molecular formula
- C13H12N2O4S
- Molecular weight
- 292.31
Names & synonyms
2-(3-aminobenzenesulfonamido)benzoic acidRefChem:455080101-448-055990-13-12-(3-Amino-benzenesulfonylamino)-benzoic acid2-(3-Aminophenylsulfonamido)benzoic acid2-[(3-aminophenyl)sulfonylamino]benzoic AcidMFCD02704635orb3022549SCHEMBL1956403DTXSID00407398TPL0523
Show more names
2-[[(3-Aminophenyl)sulfonyl]amino]benzoic acidBenzoic acid, 2-[[(3-aminophenyl)sulfonyl]amino]-
FCA99013AKOS000115630SB822492-(3-Aminophenylsulfonamido)benzoicacidBS-28613SY1328252-(3-aminobenzenesulfonylamino)benzoic acid2-[(3-aminobenzene)sulfonamido]benzoic acid
Database identifiers
- CAS
55990-13-1- PubChem CID
- 5000553
- DTXSID
DTXSID00407398- EC Number
- 101-448-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
Uses2-(3-Amino-benzenesulfonylamino)-benzoic Acid is a reactant used in the synthesis of benzoisothiazolones as selective inhibitors of PHOSPHO1, implicated in soft tissue ossification.
Suppliers12 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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