3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide

C15H13ClN4O3S2 — CID 166189748

IUPAC3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)s1
InChIInChI=1S/C15H13ClN4O3S2/c16-10-3-1-9(2-4-10)12-7-13(20-19-12)15(21)18-8-11-5-6-14(24-11)25(17,22)23/h1-7H,8H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyXNNLWAJVPHFQSA-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.37
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 166189748) has the molecular formula C15H13ClN4O3S2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID166189748
Molecular FormulaC15H13ClN4O3S2
Molecular Weight396.88 g/mol
Exact Mass396.01
IUPAC Name3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)s1
InChIInChI=1S/C15H13ClN4O3S2/c16-10-3-1-9(2-4-10)12-7-13(20-19-12)15(21)18-8-11-5-6-14(24-11)25(17,22)23/h1-7H,8H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyXNNLWAJVPHFQSA-UHFFFAOYSA-N
XLogP2.37
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
2-hydroxy-5-iodo-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 103600269
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
CID 41248093
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 55791868
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide (CID 166189748) is 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)s1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XNNLWAJVPHFQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S2/c16-10-3-1-9(2-4-10)12-7-13(20-19-12)15(21)18-8-11-5-6-14(24-11)25(17,22)23/h1-7H,8H2,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166189748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).