4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid

C14H11N3O4S2 — CID 154780485

IUPAC4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cs1
InChIInChI=1S/C14H11N3O4S2/c18-14(19)12-6-10(8-22-12)23(20,21)17-13-7-11(15-16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H2,15,16,17)
InChIKeyHIBNZNFSNCKVDC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.64
Rot. Bonds5

About 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 154780485) has the molecular formula C14H11N3O4S2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID154780485
Molecular FormulaC14H11N3O4S2
Molecular Weight349.39 g/mol
Exact Mass349.02
IUPAC Name4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cs1
InChIInChI=1S/C14H11N3O4S2/c18-14(19)12-6-10(8-22-12)23(20,21)17-13-7-11(15-16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H2,15,16,17)
InChIKeyHIBNZNFSNCKVDC-UHFFFAOYSA-N
XLogP2.64
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 154780485) is 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cs1.
What is the InChIKey of 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HIBNZNFSNCKVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S2/c18-14(19)12-6-10(8-22-12)23(20,21)17-13-7-11(15-16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)(H2,15,16,17).
What are the key properties of 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 154780485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).