4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide

C17H16FN3O2S — CID 110732621

IUPAC4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)n[nH]1
InChIInChI=1S/C17H16FN3O2S/c1-11-9-14(18)5-8-17(11)24(22,23)21-15-6-3-13(4-7-15)16-10-12(2)19-20-16/h3-10,21H,1-2H3,(H,19,20)
InChIKeyFMOVDXUYBLEJGO-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.63
Rot. Bonds4

About 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide

4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 110732621) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
PubChem CID110732621
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)n[nH]1
InChIInChI=1S/C17H16FN3O2S/c1-11-9-14(18)5-8-17(11)24(22,23)21-15-6-3-13(4-7-15)16-10-12(2)19-20-16/h3-10,21H,1-2H3,(H,19,20)
InChIKeyFMOVDXUYBLEJGO-UHFFFAOYSA-N
XLogP3.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 43547468
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732614
N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
CID 110732607
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
4-fluoro-2-methyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297852
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 45106866
4-fluoro-2-methyl-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 122286910
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
4-[(4-fluorophenyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997583

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide (CID 110732621) is 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide is Cc1cc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)n[nH]1.
What is the InChIKey of 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is FMOVDXUYBLEJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-9-14(18)5-8-17(11)24(22,23)21-15-6-3-13(4-7-15)16-10-12(2)19-20-16/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110732621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).