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4-amino-N-(3-sulfamoylphenyl)benzamide

HCID 3674641
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Basic information

CAS
438017-97-1
Standard SMILES
Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIKey
FHDNJVKGPIIFNA-UHFFFAOYSA-N
Molecular formula
C13H13N3O3S
Average molar mass
291.33 g/mol
Monoisotopic mass
291.06776246

Names & identifiers

Preferred name
4-amino-N-(3-sulfamoylphenyl)benzamide
IUPAC
4-amino-N-(3-sulfamoylphenyl)benzamide

Names & synonyms

4-amino-N-(3-sulfamoylphenyl)benzamide4-Amino-N-[3-(aminosulfonyl)phenyl]benzamide4-Amino-N-(3-(aminosulfonyl)phenyl)benzamideRefChem:518104899-876-2438017-97-1DTXSID301258615MFCD03147575AKOS000122238CS-0218515EN300-01190G34959
Show more names
Benzamide, 4-amino-N-[3-(aminosulfonyl)phenyl]-F641622SR-01000037988SR-01000037988-1Z56870806

Database identifiers

CAS
438017-97-1
PubChem CID
3674641
DTXSID
DTXSID301258615
EC Number
899-876-2

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
124 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
438

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 · 4 items

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, P317, 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%)

Related reactions

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Compound notes

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