1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C21H25ClN2O4S — CID 55435178

IUPAC1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H25ClN2O4S/c1-4-23(5-2)29(26,27)17-9-10-19-15(13-17)7-6-12-24(19)21(25)18-14-16(22)8-11-20(18)28-3/h8-11,13-14H,4-7,12H2,1-3H3
InChIKeySESMNQCGQBRIAC-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.97
Rot. Bonds6

About 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435178) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435178
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H25ClN2O4S/c1-4-23(5-2)29(26,27)17-9-10-19-15(13-17)7-6-12-24(19)21(25)18-14-16(22)8-11-20(18)28-3/h8-11,13-14H,4-7,12H2,1-3H3
InChIKeySESMNQCGQBRIAC-UHFFFAOYSA-N
XLogP3.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636171
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
1-(4-chloro-2-fluorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765921
1-(5-bromo-2-fluorobenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435230
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
1-(4,5-dimethoxy-2-nitrobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636156
1-(2-bromo-5-fluorobenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435206
N,N-diethyl-3-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-4-methylbenzenesulfonamide
CID 55614517
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435178) is 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is SESMNQCGQBRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-4-23(5-2)29(26,27)17-9-10-19-15(13-17)7-6-12-24(19)21(25)18-14-16(22)8-11-20(18)28-3/h8-11,13-14H,4-7,12H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 436.96 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).