N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide

C17H20N2O2S — CID 112986280

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-22(20,21)18-15-9-11-16(12-10-15)19-13-5-7-14-6-3-4-8-17(14)19/h3-4,6,8-12,18H,2,5,7,13H2,1H3
InChIKeyFPCFOZZEVVOUOO-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.53
Rot. Bonds4

About N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide

N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide (PubChem CID 112986280) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide
PubChem CID112986280
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H20N2O2S/c1-2-22(20,21)18-15-9-11-16(12-10-15)19-13-5-7-14-6-3-4-8-17(14)19/h3-4,6,8-12,18H,2,5,7,13H2,1H3
InChIKeyFPCFOZZEVVOUOO-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113016723
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
CID 112986176
3-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]propan-1-amine
CID 82304536
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62134837
4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline
CID 63670067
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide
CID 113031821
N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865860

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide (CID 112986280) is N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is FPCFOZZEVVOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-22(20,21)18-15-9-11-16(12-10-15)19-13-5-7-14-6-3-4-8-17(14)19/h3-4,6,8-12,18H,2,5,7,13H2,1H3.
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide?
N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 112986280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).