N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C17H14N4O3S — CID 68823873

IUPACN-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)N2CC(c3ccccc3)C=N2)cc1
InChIInChI=1S/C17H14N4O3S/c18-10-13-6-8-16(9-7-13)25(23,24)20-17(22)21-12-15(11-19-21)14-4-2-1-3-5-14/h1-9,11,15H,12H2,(H,20,22)
InChIKeyJMIXAHHDSJKZAO-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.04
Rot. Bonds3

About N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 68823873) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID68823873
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)N2CC(c3ccccc3)C=N2)cc1
InChIInChI=1S/C17H14N4O3S/c18-10-13-6-8-16(9-7-13)25(23,24)20-17(22)21-12-15(11-19-21)14-4-2-1-3-5-14/h1-9,11,15H,12H2,(H,20,22)
InChIKeyJMIXAHHDSJKZAO-UHFFFAOYSA-N
XLogP2.04
TPSA102.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339487
N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide
CID 51086068
5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide
CID 50902221
4-ethyl-N-(2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050887
4-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzenesulfonamide
CID 86959942
4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 75251376
4-cyano-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122317623
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663361
methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 68823873) is N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is N#Cc1ccc(S(=O)(=O)NC(=O)N2CC(c3ccccc3)C=N2)cc1.
What is the InChIKey of N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is JMIXAHHDSJKZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c18-10-13-6-8-16(9-7-13)25(23,24)20-17(22)21-12-15(11-19-21)14-4-2-1-3-5-14/h1-9,11,15H,12H2,(H,20,22).
What are the key properties of N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 68823873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).