4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide

C16H12N4O2S — CID 25227547

IUPAC4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide
SMILESN#Cc1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N4O2S/c17-10-13-11-20(19-16(13)12-4-2-1-3-5-12)14-6-8-15(9-7-14)23(18,21)22/h1-9,11H,(H2,18,21,22)
InChIKeyYYHQERMVVNSDSL-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.06
Rot. Bonds3

About 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide

4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide (PubChem CID 25227547) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide
PubChem CID25227547
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide
SMILESN#Cc1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N4O2S/c17-10-13-11-20(19-16(13)12-4-2-1-3-5-12)14-6-8-15(9-7-14)23(18,21)22/h1-9,11H,(H2,18,21,22)
InChIKeyYYHQERMVVNSDSL-UHFFFAOYSA-N
XLogP2.06
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide (CID 25227547) is 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide is N#Cc1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is YYHQERMVVNSDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c17-10-13-11-20(19-16(13)12-4-2-1-3-5-12)14-6-8-15(9-7-14)23(18,21)22/h1-9,11H,(H2,18,21,22).
What are the key properties of 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide?
4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-3-phenylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 25227547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).