4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

C19H22N2O3S — CID 18134740

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(2)20-25(23,24)17-11-9-16(10-12-17)19(22)21-13-5-7-15-6-3-4-8-18(15)21/h3-4,6,8-12,14,20H,5,7,13H2,1-2H3
InChIKeyOJUBDLSNWWECNA-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.97
Rot. Bonds4

About 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 18134740) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID18134740
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(2)20-25(23,24)17-11-9-16(10-12-17)19(22)21-13-5-7-15-6-3-4-8-18(15)21/h3-4,6,8-12,14,20H,5,7,13H2,1-2H3
InChIKeyOJUBDLSNWWECNA-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
3,4-dihydro-2H-quinolin-1-yl-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]methanone
CID 7092245
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 26681045
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2128055
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
CID 109048626
N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31845243
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
N-ethyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 60557455

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 18134740) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OJUBDLSNWWECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14(2)20-25(23,24)17-11-9-16(10-12-17)19(22)21-13-5-7-15-6-3-4-8-18(15)21/h3-4,6,8-12,14,20H,5,7,13H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 18134740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).