N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide

C16H14ClN3O2S — CID 66757150

IUPACN-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
SMILESN#Cc1cc(Cl)c2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2
InChIInChI=1S/C16H14ClN3O2S/c17-15-7-11(9-18)6-12-8-13(10-19-16(12)15)20-23(21,22)14-4-2-1-3-5-14/h1-7,13,19-20H,8,10H2
InChIKeyYZTXODZBJWWYFG-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.53
Rot. Bonds3

About N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide

N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide (PubChem CID 66757150) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
PubChem CID66757150
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
SMILESN#Cc1cc(Cl)c2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2
InChIInChI=1S/C16H14ClN3O2S/c17-15-7-11(9-18)6-12-8-13(10-19-16(12)15)20-23(21,22)14-4-2-1-3-5-14/h1-7,13,19-20H,8,10H2
InChIKeyYZTXODZBJWWYFG-UHFFFAOYSA-N
XLogP2.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide (CID 66757150) is N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide is N#Cc1cc(Cl)c2c(c1)CC(NS(=O)(=O)c1ccccc1)CN2.
What is the InChIKey of N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
The InChIKey is YZTXODZBJWWYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-15-7-11(9-18)6-12-8-13(10-19-16(12)15)20-23(21,22)14-4-2-1-3-5-14/h1-7,13,19-20H,8,10H2.
What are the key properties of N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide?
N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 66757150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).