2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C17H15F2N3O2S — CID 17376579

IUPAC2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1ccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C17H15F2N3O2S/c1-12-4-2-3-5-13(12)11-22-9-8-17(20-22)21-25(23,24)16-10-14(18)6-7-15(16)19/h2-10H,11H2,1H3,(H,20,21)
InChIKeyBJGNYIPKXIESQS-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.32
Rot. Bonds5

About 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 17376579) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID17376579
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccccc1Cn1ccc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C17H15F2N3O2S/c1-12-4-2-3-5-13(12)11-22-9-8-17(20-22)21-25(23,24)16-10-14(18)6-7-15(16)19/h2-10H,11H2,1H3,(H,20,21)
InChIKeyBJGNYIPKXIESQS-UHFFFAOYSA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 4770409
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206847

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 17376579) is 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is Cc1ccccc1Cn1ccc(NS(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is BJGNYIPKXIESQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-12-4-2-3-5-13(12)11-22-9-8-17(20-22)21-25(23,24)16-10-14(18)6-7-15(16)19/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 17376579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).