N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide

C16H15N3O2S — CID 66757946

IUPACN-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccccc1)CN2
InChIInChI=1S/C16H15N3O2S/c17-10-12-6-7-16-13(8-12)9-14(11-18-16)19-22(20,21)15-4-2-1-3-5-15/h1-8,14,18-19H,9,11H2/t14-/m0/s1
InChIKeyMHYDATSAXQNFJZ-AWEZNQCLSA-N
MW313.38 g/mol
LogP1.87
Rot. Bonds3

About N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide

N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide (PubChem CID 66757946) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide
PubChem CID66757946
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccccc1)CN2
InChIInChI=1S/C16H15N3O2S/c17-10-12-6-7-16-13(8-12)9-14(11-18-16)19-22(20,21)15-4-2-1-3-5-15/h1-8,14,18-19H,9,11H2/t14-/m0/s1
InChIKeyMHYDATSAXQNFJZ-AWEZNQCLSA-N
XLogP1.87
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
CID 18177121
N-(8-chloro-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
CID 66757150
N-(6-cyano-1,2,3,4-tetrahydroquinolin-3-yl)-2-oxo-2-phenylacetamide
CID 143265631
N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 66757324
N-[dihydroxy(phenyl)-λ4-sulfanyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-amine;molecular hydrogen
CID 142990240
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide (CID 66757946) is N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide is N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccccc1)CN2.
What is the InChIKey of N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide?
The InChIKey is MHYDATSAXQNFJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-10-12-6-7-16-13(8-12)9-14(11-18-16)19-22(20,21)15-4-2-1-3-5-15/h1-8,14,18-19H,9,11H2/t14-/m0/s1.
What are the key properties of N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide?
N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6-cyano-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 66757946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).