4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

C16H14FN3O2S — CID 110732433

IUPAC4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3ccn[nH]3)cc2)ccc1F
InChIInChI=1S/C16H14FN3O2S/c1-11-10-14(6-7-15(11)17)23(21,22)20-13-4-2-12(3-5-13)16-8-9-18-19-16/h2-10,20H,1H3,(H,18,19)
InChIKeyULFPDORNFKFXQF-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.33
Rot. Bonds4

About 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110732433) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110732433
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3ccn[nH]3)cc2)ccc1F
InChIInChI=1S/C16H14FN3O2S/c1-11-10-14(6-7-15(11)17)23(21,22)20-13-4-2-12(3-5-13)16-8-9-18-19-16/h2-10,20H,1H3,(H,18,19)
InChIKeyULFPDORNFKFXQF-UHFFFAOYSA-N
XLogP3.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 72547025
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 110734574
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (CID 110732433) is 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(-c3ccn[nH]3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is ULFPDORNFKFXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-10-14(6-7-15(11)17)23(21,22)20-13-4-2-12(3-5-13)16-8-9-18-19-16/h2-10,20H,1H3,(H,18,19).
What are the key properties of 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110732433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).