3-cyano-N-quinolin-8-ylbenzenesulfonamide

C16H11N3O2S — CID 8823700

IUPAC3-cyano-N-quinolin-8-ylbenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C16H11N3O2S/c17-11-12-4-1-7-14(10-12)22(20,21)19-15-8-2-5-13-6-3-9-18-16(13)15/h1-10,19H
InChIKeyJVZPPSZOELJQNX-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.91
Rot. Bonds3

About 3-cyano-N-quinolin-8-ylbenzenesulfonamide

3-cyano-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 8823700) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-cyano-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-quinolin-8-ylbenzenesulfonamide
PubChem CID8823700
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name3-cyano-N-quinolin-8-ylbenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C16H11N3O2S/c17-11-12-4-1-7-14(10-12)22(20,21)19-15-8-2-5-13-6-3-9-18-16(13)15/h1-10,19H
InChIKeyJVZPPSZOELJQNX-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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Related Compounds

3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 66905539
N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-3-cyanobenzenesulfonamide
CID 59849944
4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 151982031
5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 166208269

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-quinolin-8-ylbenzenesulfonamide (CID 8823700) is 3-cyano-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-quinolin-8-ylbenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 3-cyano-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is JVZPPSZOELJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c17-11-12-4-1-7-14(10-12)22(20,21)19-15-8-2-5-13-6-3-9-18-16(13)15/h1-10,19H.
What are the key properties of 3-cyano-N-quinolin-8-ylbenzenesulfonamide?
3-cyano-N-quinolin-8-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 3-cyano-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 8823700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).