4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide

C17H13N3O2S — CID 151982031

IUPAC4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2n1
InChIInChI=1S/C17H13N3O2S/c1-12-5-8-14-3-2-4-16(17(14)19-12)20-23(21,22)15-9-6-13(11-18)7-10-15/h2-10,20H,1H3
InChIKeyUCWMNXJLGHUVCE-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.22
Rot. Bonds3

About 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide

4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide (PubChem CID 151982031) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
PubChem CID151982031
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2n1
InChIInChI=1S/C17H13N3O2S/c1-12-5-8-14-3-2-4-16(17(14)19-12)20-23(21,22)15-9-6-13(11-18)7-10-15/h2-10,20H,1H3
InChIKeyUCWMNXJLGHUVCE-UHFFFAOYSA-N
XLogP3.22
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734172
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
2-methyl-8-(sulfamoylamino)quinoline
CID 112573710
N-(2-methylquinolin-8-yl)ethanesulfonamide
CID 64584373
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
CID 16759908
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide (CID 151982031) is 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide is Cc1ccc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2n1.
What is the InChIKey of 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The InChIKey is UCWMNXJLGHUVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-12-5-8-14-3-2-4-16(17(14)19-12)20-23(21,22)15-9-6-13(11-18)7-10-15/h2-10,20H,1H3.
What are the key properties of 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide?
4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide has a molecular weight of 323.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 151982031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).