2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide

C15H11ClFN3O2S — CID 25044864

IUPAC2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFN3O2S/c16-13-8-11(17)6-7-14(13)23(21,22)20-15-12(9-18-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20)
InChIKeyRAUBLERYKMKOPR-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.67
Rot. Bonds4

About 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide

2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 25044864) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID25044864
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC Name2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClFN3O2S/c16-13-8-11(17)6-7-14(13)23(21,22)20-15-12(9-18-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20)
InChIKeyRAUBLERYKMKOPR-UHFFFAOYSA-N
XLogP3.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 25044864) is 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is RAUBLERYKMKOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-13-8-11(17)6-7-14(13)23(21,22)20-15-12(9-18-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20).
What are the key properties of 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 351.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 25044864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).