3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

C16H14FN3O2S — CID 2349398

IUPAC3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-12-10-16(20(18-12)14-7-3-2-4-8-14)19-23(21,22)15-9-5-6-13(17)11-15/h2-11,19H,1H3
InChIKeyVMOVKFSCEMEFOU-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.12
Rot. Bonds4

About 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2349398) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID2349398
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14FN3O2S/c1-12-10-16(20(18-12)14-7-3-2-4-8-14)19-23(21,22)15-9-5-6-13(17)11-15/h2-11,19H,1H3
InChIKeyVMOVKFSCEMEFOU-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (CID 2349398) is 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(F)c2)n(-c2ccccc2)n1.
What is the InChIKey of 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is VMOVKFSCEMEFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-12-10-16(20(18-12)14-7-3-2-4-8-14)19-23(21,22)15-9-5-6-13(17)11-15/h2-11,19H,1H3.
What are the key properties of 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2349398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).