N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide

C15H12FN3O2S — CID 67662243

IUPACN-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1ncc(F)c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-14-11-17-19(15(14)12-7-3-1-4-8-12)18-22(20,21)13-9-5-2-6-10-13/h1-11,18H
InChIKeyIITZIAWRVYJJKC-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.62
Rot. Bonds4

About N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide

N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide (PubChem CID 67662243) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
PubChem CID67662243
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1ncc(F)c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-14-11-17-19(15(14)12-7-3-1-4-8-12)18-22(20,21)13-9-5-2-6-10-13/h1-11,18H
InChIKeyIITZIAWRVYJJKC-UHFFFAOYSA-N
XLogP2.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide (CID 67662243) is N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide is O=S(=O)(Nn1ncc(F)c1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is IITZIAWRVYJJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-14-11-17-19(15(14)12-7-3-1-4-8-12)18-22(20,21)13-9-5-2-6-10-13/h1-11,18H.
What are the key properties of N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide?
N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 67662243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).