N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C18H15FN4O2S — CID 67647097

IUPACN-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn(CC#N)nc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H15FN4O2S/c1-13-7-8-14(11-17(13)19)16-12-23(10-9-20)21-18(16)22-26(24,25)15-5-3-2-4-6-15/h2-8,11-12H,10H2,1H3,(H,21,22)
InChIKeyWKIABDHHQBWMHD-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.32
Rot. Bonds5

About N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67647097) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67647097
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn(CC#N)nc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C18H15FN4O2S/c1-13-7-8-14(11-17(13)19)16-12-23(10-9-20)21-18(16)22-26(24,25)15-5-3-2-4-6-15/h2-8,11-12H,10H2,1H3,(H,21,22)
InChIKeyWKIABDHHQBWMHD-UHFFFAOYSA-N
XLogP3.32
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide
CID 75376208
N-[1-(3-cyanopropyl)pyrazol-3-yl]-2,5-difluoro-4-methylbenzenesulfonamide
CID 75381654
N-[1-(2-cyanoethyl)pyrazol-3-yl]-2,5-difluoro-4-methylbenzenesulfonamide
CID 84587593
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834
1-(4-Fluorophenyl)sulfonyl-4-(4-methylphenyl)pyrazol-3-amine
CID 1256523
4-(4-Fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazol-3-amine
CID 1258072
1-(Benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
CID 2986590
1-(4-Fluoro-3-methylphenyl)sulfonyl-4-(3-fluorophenyl)pyrazol-3-amine
CID 2989319

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 67647097) is N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-c2cn(CC#N)nc2NS(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is WKIABDHHQBWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-13-7-8-14(11-17(13)19)16-12-23(10-9-20)21-18(16)22-26(24,25)15-5-3-2-4-6-15/h2-8,11-12H,10H2,1H3,(H,21,22).
What are the key properties of N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 370.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67647097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).