2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide

C18H25BrN2O3S — CID 56582877

IUPAC2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCCc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H25BrN2O3S/c1-13-4-7-16(8-5-13)20-25(23,24)12-18(22)21-10-2-3-14-11-15(19)6-9-17(14)21/h6,9,11,13,16,20H,2-5,7-8,10,12H2,1H3
InChIKeyVOACPXXIYVSJCA-UHFFFAOYSA-N
MW429.38 g/mol
LogP3.23
Rot. Bonds4

About 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide

2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide (PubChem CID 56582877) has the molecular formula C18H25BrN2O3S and a molecular weight of 429.38 g/mol. Its IUPAC name is 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
PubChem CID56582877
Molecular FormulaC18H25BrN2O3S
Molecular Weight429.38 g/mol
Exact Mass428.08
IUPAC Name2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCCc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H25BrN2O3S/c1-13-4-7-16(8-5-13)20-25(23,24)12-18(22)21-10-2-3-14-11-15(19)6-9-17(14)21/h6,9,11,13,16,20H,2-5,7-8,10,12H2,1H3
InChIKeyVOACPXXIYVSJCA-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60538172
4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 56580624
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylcarbamate
CID 56568100
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
CID 55915276
tert-butyl 4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-1-carboxylate
CID 55978207
4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The IUPAC name of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide (CID 56582877) is 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide.
What is the SMILES notation for 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The canonical SMILES for 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide is CC1CCC(NS(=O)(=O)CC(=O)N2CCCc3cc(Br)ccc32)CC1.
What is the InChIKey of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
The InChIKey is VOACPXXIYVSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3S/c1-13-4-7-16(8-5-13)20-25(23,24)12-18(22)21-10-2-3-14-11-15(19)6-9-17(14)21/h6,9,11,13,16,20H,2-5,7-8,10,12H2,1H3.
What are the key properties of 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide?
2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide has a molecular weight of 429.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide is sourced from PubChem (CID 56582877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).