2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

C16H13F2N3O2S — CID 3673892

IUPAC2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O2S/c1-21-16(10-14(19-21)11-5-3-2-4-6-11)20-24(22,23)15-8-7-12(17)9-13(15)18/h2-10,20H,1H3
InChIKeyYIVPECSNOYGLOF-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.17
Rot. Bonds4

About 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 3673892) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID3673892
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O2S/c1-21-16(10-14(19-21)11-5-3-2-4-6-11)20-24(22,23)15-8-7-12(17)9-13(15)18/h2-10,20H,1H3
InChIKeyYIVPECSNOYGLOF-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 3673892) is 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is YIVPECSNOYGLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c1-21-16(10-14(19-21)11-5-3-2-4-6-11)20-24(22,23)15-8-7-12(17)9-13(15)18/h2-10,20H,1H3.
What are the key properties of 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3673892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).