N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C16H14FN3O2S — CID 20914807

IUPACN-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-12-3-4-13(11-16(12)17)19-23(21,22)15-7-5-14(6-8-15)20-10-2-9-18-20/h2-11,19H,1H3
InChIKeyGGTUTFGPTSZWKE-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914807) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914807
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F
InChIInChI=1S/C16H14FN3O2S/c1-12-3-4-13(11-16(12)17)19-23(21,22)15-7-5-14(6-8-15)20-10-2-9-18-20/h2-11,19H,1H3
InChIKeyGGTUTFGPTSZWKE-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

Celecoxib
CID 2662
Mavacoxib
CID 9843089
4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine
CID 11706478
Desmethyl Celecoxib
CID 6426663
4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)benzyl)piperidin-1-yl)ethyl)cyclohexyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 44435096
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
4-[5-(4-Dimethylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9822818
4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9841276
4-(4-Chloro-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9880758

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914807) is N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is GGTUTFGPTSZWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-12-3-4-13(11-16(12)17)19-23(21,22)15-7-5-14(6-8-15)20-10-2-9-18-20/h2-11,19H,1H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide 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 N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).