2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride

C12H14ClN3O4S2 — CID 132988288

IUPAC2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
SMILESCl.Nc1ccccc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O4S2.ClH/c13-11-3-1-2-4-12(11)21(18,19)15-9-5-7-10(8-6-9)20(14,16)17;/h1-8,15H,13H2,(H2,14,16,17);1H
InChIKeyUHVXWYXSXNVGLE-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride

2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride (PubChem CID 132988288) has the molecular formula C12H14ClN3O4S2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
PubChem CID132988288
Molecular FormulaC12H14ClN3O4S2
Molecular Weight363.85 g/mol
Exact Mass363.01
IUPAC Name2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
SMILESCl.Nc1ccccc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H13N3O4S2.ClH/c13-11-3-1-2-4-12(11)21(18,19)15-9-5-7-10(8-6-9)20(14,16)17;/h1-8,15H,13H2,(H2,14,16,17);1H
InChIKeyUHVXWYXSXNVGLE-UHFFFAOYSA-N
XLogP1.14
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 139292939
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
CID 106523222
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 168518858
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
4-amino-3-chloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 18758681
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
CID 142036795
2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 5089316

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride (CID 132988288) is 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride is Cl.Nc1ccccc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride?
The InChIKey is UHVXWYXSXNVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2.ClH/c13-11-3-1-2-4-12(11)21(18,19)15-9-5-7-10(8-6-9)20(14,16)17;/h1-8,15H,13H2,(H2,14,16,17);1H.
What are the key properties of 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride?
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 132988288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).