4-cyano-N-quinolin-2-ylbenzenesulfonamide

C16H11N3O2S — CID 2813158

IUPAC4-cyano-N-quinolin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H11N3O2S/c17-11-12-5-8-14(9-6-12)22(20,21)19-16-10-7-13-3-1-2-4-15(13)18-16/h1-10H,(H,18,19)
InChIKeyVQEPMSDNMRHISO-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.91
Rot. Bonds3

About 4-cyano-N-quinolin-2-ylbenzenesulfonamide

4-cyano-N-quinolin-2-ylbenzenesulfonamide (PubChem CID 2813158) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-cyano-N-quinolin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-quinolin-2-ylbenzenesulfonamide
PubChem CID2813158
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name4-cyano-N-quinolin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H11N3O2S/c17-11-12-5-8-14(9-6-12)22(20,21)19-16-10-7-13-3-1-2-4-15(13)18-16/h1-10H,(H,18,19)
InChIKeyVQEPMSDNMRHISO-UHFFFAOYSA-N
XLogP2.91
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-quinolin-2-ylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-quinolin-2-ylbenzenesulfonamide (CID 2813158) is 4-cyano-N-quinolin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-quinolin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-quinolin-2-ylbenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-cyano-N-quinolin-2-ylbenzenesulfonamide?
The InChIKey is VQEPMSDNMRHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c17-11-12-5-8-14(9-6-12)22(20,21)19-16-10-7-13-3-1-2-4-15(13)18-16/h1-10H,(H,18,19).
What are the key properties of 4-cyano-N-quinolin-2-ylbenzenesulfonamide?
4-cyano-N-quinolin-2-ylbenzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-quinolin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2813158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).