N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide

C17H20N2O4S2 — CID 9125363

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21
InChIInChI=1S/C17H20N2O4S2/c1-24(20,21)19-11-5-8-15-9-10-16(12-17(15)19)18-25(22,23)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3
InChIKeyGMLOQMRVJUIWIK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.34
Rot. Bonds5

About N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide (PubChem CID 9125363) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide
PubChem CID9125363
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21
InChIInChI=1S/C17H20N2O4S2/c1-24(20,21)19-11-5-8-15-9-10-16(12-17(15)19)18-25(22,23)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3
InChIKeyGMLOQMRVJUIWIK-UHFFFAOYSA-N
XLogP2.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide (CID 9125363) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide is CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3)cc21.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide?
The InChIKey is GMLOQMRVJUIWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-24(20,21)19-11-5-8-15-9-10-16(12-17(15)19)18-25(22,23)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3.
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 9125363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).