2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide

C12H13N3O4S2 — CID 142784698

IUPAC2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
SMILESNc1c(-c2ccccc2S(N)(=O)=O)cccc1S(N)(=O)=O
InChIInChI=1S/C12H13N3O4S2/c13-12-9(5-3-7-11(12)21(15,18)19)8-4-1-2-6-10(8)20(14,16)17/h1-7H,13H2,(H2,14,16,17)(H2,15,18,19)
InChIKeyQLSBCALTVOXCKT-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.23
Rot. Bonds3

About 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide

2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide (PubChem CID 142784698) has the molecular formula C12H13N3O4S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
PubChem CID142784698
Molecular FormulaC12H13N3O4S2
Molecular Weight327.39 g/mol
Exact Mass327.03
IUPAC Name2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
SMILESNc1c(-c2ccccc2S(N)(=O)=O)cccc1S(N)(=O)=O
InChIInChI=1S/C12H13N3O4S2/c13-12-9(5-3-7-11(12)21(15,18)19)8-4-1-2-6-10(8)20(14,16)17/h1-7H,13H2,(H2,14,16,17)(H2,15,18,19)
InChIKeyQLSBCALTVOXCKT-UHFFFAOYSA-N
XLogP0.23
TPSA146.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.23
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

2-[2-(2-chlorophenyl)phenyl]benzenesulfonamide
CID 175024723
2-amino-3-iodobenzenesulfonamide
CID 118996244
2-amino-3-pyrimidin-4-ylbenzenesulfonamide
CID 175302030
2-[2-(4-fluorophenyl)phenyl]benzenesulfonamide
CID 23217342
2-amino-3-methylsulfanylbenzenesulfonamide
CID 112675184
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
2-amino-3-(chloromethyl)benzenesulfonamide
CID 21483537
3-(2-aminophenyl)-2-cyanobenzenesulfonamide
CID 174596921
2-(4-amino-3-sulfanylphenyl)benzenesulfonamide
CID 142012293
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
biphenylene;sulfamide
CID 67882419
2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
CID 23217294

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide (CID 142784698) is 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide is Nc1c(-c2ccccc2S(N)(=O)=O)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is QLSBCALTVOXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S2/c13-12-9(5-3-7-11(12)21(15,18)19)8-4-1-2-6-10(8)20(14,16)17/h1-7H,13H2,(H2,14,16,17)(H2,15,18,19).
What are the key properties of 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide?
2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 327.39 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 142784698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).