N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide

C15H12FN3O2S — CID 20914776

IUPACN-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H12FN3O2S/c16-12-2-4-13(5-3-12)18-22(20,21)15-8-6-14(7-9-15)19-11-1-10-17-19/h1-11,18H
InChIKeyIFUNDKFDJXAIQM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.81
Rot. Bonds4

About N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914776) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914776
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H12FN3O2S/c16-12-2-4-13(5-3-12)18-22(20,21)15-8-6-14(7-9-15)19-11-1-10-17-19/h1-11,18H
InChIKeyIFUNDKFDJXAIQM-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfaphenazole
CID 5335
4-[4-(Anilinomethyl)triazol-1-yl]benzenesulfonamide
CID 134131659
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
4-[[(4aS)-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]sulfonyl]aniline
CID 11495854
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 11100382
4-Azido-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10617103
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
N-ethyl-N-(3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022080
N-(3,5-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022086
N-(2-ethyl-6-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022099
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914776) is N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is IFUNDKFDJXAIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-2-4-13(5-3-12)18-22(20,21)15-8-6-14(7-9-15)19-11-1-10-17-19/h1-11,18H.
What are the key properties of N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).