3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

C16H13FN4O3S — CID 45030518

IUPAC3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C16H13FN4O3S/c17-11-3-1-10(2-4-11)14-9-15(21-20-14)16(22)19-12-5-7-13(8-6-12)25(18,23)24/h1-9H,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyYHPBDEZFCCVZSE-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.12
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030518) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030518
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C16H13FN4O3S/c17-11-3-1-10(2-4-11)14-9-15(21-20-14)16(22)19-12-5-7-13(8-6-12)25(18,23)24/h1-9H,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyYHPBDEZFCCVZSE-UHFFFAOYSA-N
XLogP2.12
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
3-(4-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19514441
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514489
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
butyl 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 46920237
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 45030518) is 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YHPBDEZFCCVZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-11-3-1-10(2-4-11)14-9-15(21-20-14)16(22)19-12-5-7-13(8-6-12)25(18,23)24/h1-9H,(H,19,22)(H,20,21)(H2,18,23,24).
What are the key properties of 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).