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

C16H13F2N3O2S — CID 4572738

IUPAC4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O2S/c17-13-3-1-12(2-4-13)10-21-11-15(9-19-21)20-24(22,23)16-7-5-14(18)6-8-16/h1-9,11,20H,10H2
InChIKeyPXNJZGBGWXAYPX-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.01
Rot. Bonds5

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

4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 4572738) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
PubChem CID4572738
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(F)cc1
InChIInChI=1S/C16H13F2N3O2S/c17-13-3-1-12(2-4-13)10-21-11-15(9-19-21)20-24(22,23)16-7-5-14(18)6-8-16/h1-9,11,20H,10H2
InChIKeyPXNJZGBGWXAYPX-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
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-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577804
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
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~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide (CID 4572738) is 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is PXNJZGBGWXAYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-13-3-1-12(2-4-13)10-21-11-15(9-19-21)20-24(22,23)16-7-5-14(18)6-8-16/h1-9,11,20H,10H2.
What are the key properties of 4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide?
4-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 3.01, 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-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 4572738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).