5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid

C21H17N3O4S2 — CID 121457664

IUPAC5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cc2cn(-c3cc(C(=O)O)cs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O4S2/c22-30(27,28)18-8-6-14(7-9-18)10-16-12-24(19-11-17(13-29-19)21(25)26)23-20(16)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,25,26)(H2,22,27,28)
InChIKeyOCSCCDJZWFNGKR-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.54
Rot. Bonds6

About 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid

5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid (PubChem CID 121457664) has the molecular formula C21H17N3O4S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid
PubChem CID121457664
Molecular FormulaC21H17N3O4S2
Molecular Weight439.52 g/mol
Exact Mass439.07
IUPAC Name5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cc2cn(-c3cc(C(=O)O)cs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N3O4S2/c22-30(27,28)18-8-6-14(7-9-18)10-16-12-24(19-11-17(13-29-19)21(25)26)23-20(16)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,25,26)(H2,22,27,28)
InChIKeyOCSCCDJZWFNGKR-UHFFFAOYSA-N
XLogP3.54
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid (CID 121457664) is 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid is NS(=O)(=O)c1ccc(Cc2cn(-c3cc(C(=O)O)cs3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid?
The InChIKey is OCSCCDJZWFNGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S2/c22-30(27,28)18-8-6-14(7-9-18)10-16-12-24(19-11-17(13-29-19)21(25)26)23-20(16)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,25,26)(H2,22,27,28).
What are the key properties of 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid?
5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid has a molecular weight of 439.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-phenyl-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 121457664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).