N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide

C15H11F2N3O2S — CID 6626016

IUPACN-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H11F2N3O2S/c16-11-2-7-14(17)15(10-11)19-23(21,22)13-5-3-12(4-6-13)20-9-1-8-18-20/h1-10,19H
InChIKeyZPMXELGQHUAHOM-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.95
Rot. Bonds4

About N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 6626016) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID6626016
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC NameN-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H11F2N3O2S/c16-11-2-7-14(17)15(10-11)19-23(21,22)13-5-3-12(4-6-13)20-9-1-8-18-20/h1-10,19H
InChIKeyZPMXELGQHUAHOM-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 6626016) is N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is ZPMXELGQHUAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c16-11-2-7-14(17)15(10-11)19-23(21,22)13-5-3-12(4-6-13)20-9-1-8-18-20/h1-10,19H.
What are the key properties of N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 335.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 6626016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).