N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide

C17H16FN3O2S — CID 5241668

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-6-8-16(9-7-13)24(22,23)20-15-10-19-21(12-15)11-14-4-2-3-5-17(14)18/h2-10,12,20H,11H2,1H3
InChIKeyYZJGKJOKOWHYET-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.18
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide (PubChem CID 5241668) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
PubChem CID5241668
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-6-8-16(9-7-13)24(22,23)20-15-10-19-21(12-15)11-14-4-2-3-5-17(14)18/h2-10,12,20H,11H2,1H3
InChIKeyYZJGKJOKOWHYET-UHFFFAOYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
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
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 5497333
1,3-dimethyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 6469799
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
N-(2,4-dimethylphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914791
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide (CID 5241668) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is YZJGKJOKOWHYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-13-6-8-16(9-7-13)24(22,23)20-15-10-19-21(12-15)11-14-4-2-3-5-17(14)18/h2-10,12,20H,11H2,1H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5241668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).