1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C20H16N4O3S2 — CID 2474599

IUPAC1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H16N4O3S2/c21-29(26,27)16-10-8-14(9-11-16)22-20(25)17-13-24(15-5-2-1-3-6-15)23-19(17)18-7-4-12-28-18/h1-13H,(H,22,25)(H2,21,26,27)
InChIKeyXLLOZGUCYIEZFK-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.50
Rot. Bonds5

About 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2474599) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2474599
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC Name1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H16N4O3S2/c21-29(26,27)16-10-8-14(9-11-16)22-20(25)17-13-24(15-5-2-1-3-6-15)23-19(17)18-7-4-12-28-18/h1-13H,(H,22,25)(H2,21,26,27)
InChIKeyXLLOZGUCYIEZFK-UHFFFAOYSA-N
XLogP3.50
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
1H-Pyrazole-4-carboxamide, N-2-naphthalenyl-1-phenyl-3-(2-thienyl)-
CID 2308236
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
Sdccgsbi-0662020.P001
CID 2407483

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2474599) is 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is XLLOZGUCYIEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c21-29(26,27)16-10-8-14(9-11-16)22-20(25)17-13-24(15-5-2-1-3-6-15)23-19(17)18-7-4-12-28-18/h1-13H,(H,22,25)(H2,21,26,27).
What are the key properties of 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2474599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).