N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide

C12H18N2O2S — CID 110416315

IUPACN-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C12H18N2O2S/c1-3-13-17(15,16)14-9-10(2)8-11-6-4-5-7-12(11)14/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyFTYVSHCNJCUOQT-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.54
Rot. Bonds3

About N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide

N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 110416315) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID110416315
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C12H18N2O2S/c1-3-13-17(15,16)14-9-10(2)8-11-6-4-5-7-12(11)14/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyFTYVSHCNJCUOQT-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide 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-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 110416315) is N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide is CCNS(=O)(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is FTYVSHCNJCUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-13-17(15,16)14-9-10(2)8-11-6-4-5-7-12(11)14/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 110416315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).