3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid

C11H10N2O4S2 — CID 81471366

IUPAC3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C11H10N2O4S2/c12-9-5-7(11(14)15)1-2-10(9)19(16,17)13-8-3-4-18-6-8/h1-6,13H,12H2,(H,14,15)
InChIKeyMLZARJCNWGZYPP-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid

3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid (PubChem CID 81471366) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
PubChem CID81471366
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
SMILESNc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C11H10N2O4S2/c12-9-5-7(11(14)15)1-2-10(9)19(16,17)13-8-3-4-18-6-8/h1-6,13H,12H2,(H,14,15)
InChIKeyMLZARJCNWGZYPP-UHFFFAOYSA-N
XLogP1.83
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.83
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-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 66352575
3-amino-4-[(4-bromophenyl)sulfamoyl]benzoic acid
CID 81452961
3-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81471188
3-amino-4-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 81470973
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
3-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]benzoic acid
CID 106181236
3-amino-4-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 113303512
3-amino-4-(cyclopropylsulfamoyl)benzoic acid
CID 81471410
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
CID 102946035

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid (CID 81471366) is 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid is Nc1cc(C(=O)O)ccc1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid?
The InChIKey is MLZARJCNWGZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c12-9-5-7(11(14)15)1-2-10(9)19(16,17)13-8-3-4-18-6-8/h1-6,13H,12H2,(H,14,15).
What are the key properties of 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid?
3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid has a molecular weight of 298.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 81471366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).