4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide

C17H16FN3O2S — CID 17026919

IUPAC4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H16FN3O2S/c1-13-4-2-3-5-14(13)11-21-12-16(10-19-21)20-24(22,23)17-8-6-15(18)7-9-17/h2-10,12,20H,11H2,1H3
InChIKeyNSGHRJURSOHICT-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.18
Rot. Bonds5

About 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide

4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 17026919) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID17026919
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H16FN3O2S/c1-13-4-2-3-5-14(13)11-21-12-16(10-19-21)20-24(22,23)17-8-6-15(18)7-9-17/h2-10,12,20H,11H2,1H3
InChIKeyNSGHRJURSOHICT-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-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
1,3-dimethyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 6469799
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
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-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
4-[2-[4-(4-Fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 71723310

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 17026919) is 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide is Cc1ccccc1Cn1cc(NS(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is NSGHRJURSOHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-13-4-2-3-5-14(13)11-21-12-16(10-19-21)20-24(22,23)17-8-6-15(18)7-9-17/h2-10,12,20H,11H2,1H3.
What are the key properties of 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide 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 4-fluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 17026919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).