3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C16H13F2N3O2S — CID 22205263

IUPAC3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O2S/c17-15-7-6-14(10-16(15)18)24(22,23)20-13-4-2-12(3-5-13)11-21-9-1-8-19-21/h1-10,20H,11H2
InChIKeyGQXOLIGMGWTKNE-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.01
Rot. Bonds5

About 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 22205263) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID22205263
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O2S/c17-15-7-6-14(10-16(15)18)24(22,23)20-13-4-2-12(3-5-13)11-21-9-1-8-19-21/h1-10,20H,11H2
InChIKeyGQXOLIGMGWTKNE-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

3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
3-pyrazol-1-ylpropyl 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 86900926
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55719646
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 60934231
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
CID 22201835

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 22205263) is 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is GQXOLIGMGWTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-15-7-6-14(10-16(15)18)24(22,23)20-13-4-2-12(3-5-13)11-21-9-1-8-19-21/h1-10,20H,11H2.
What are the key properties of 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]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 3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22205263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).