4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide

C16H14FN3O2S — CID 35521119

IUPAC4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-12-10-11-20(18-12)15-6-4-14(5-7-15)19-23(21,22)16-8-2-13(17)3-9-16/h2-11,19H,1H3
InChIKeyFZSVUOJXOMCGGP-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds4

About 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 35521119) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID35521119
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-12-10-11-20(18-12)15-6-4-14(5-7-15)19-23(21,22)16-8-2-13(17)3-9-16/h2-11,19H,1H3
InChIKeyFZSVUOJXOMCGGP-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867678
3-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 90328454
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521098
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35533172
N-[4-(3-methylpyrazol-1-yl)phenyl]butane-1-sulfonamide
CID 35521147
N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
CID 35521142
4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 3709747
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371262
4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide
CID 6927654
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
CID 108783145

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide (CID 35521119) is 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide is Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FZSVUOJXOMCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-12-10-11-20(18-12)15-6-4-14(5-7-15)19-23(21,22)16-8-2-13(17)3-9-16/h2-11,19H,1H3.
What are the key properties of 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 35521119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).