N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C23H19FN4O3S — CID 37194892

IUPACN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C23H19FN4O3S/c1-15-11-12-17(13-22(15)32(30,31)28-19-10-6-5-9-18(19)24)25-23(29)21-14-20(26-27-21)16-7-3-2-4-8-16/h2-14,28H,1H3,(H,25,29)(H,26,27)
InChIKeyCGGPTNOPKOHBDN-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.58
Rot. Bonds6

About N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 37194892) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID37194892
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C23H19FN4O3S/c1-15-11-12-17(13-22(15)32(30,31)28-19-10-6-5-9-18(19)24)25-23(29)21-14-20(26-27-21)16-7-3-2-4-8-16/h2-14,28H,1H3,(H,25,29)(H,26,27)
InChIKeyCGGPTNOPKOHBDN-UHFFFAOYSA-N
XLogP4.58
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24648342
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
CID 4555053
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24648339
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 31473967
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrothiophene-2-carboxamide
CID 31474760
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24648421
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 37194892) is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is CGGPTNOPKOHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-15-11-12-17(13-22(15)32(30,31)28-19-10-6-5-9-18(19)24)25-23(29)21-14-20(26-27-21)16-7-3-2-4-8-16/h2-14,28H,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 37194892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).