2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide

C18H19ClN2O3S — CID 51147451

IUPAC2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-20(2)25(23,24)17-12-14(9-10-15(17)19)18(22)21-11-5-7-13-6-3-4-8-16(13)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyVKZWMXPCZNQLIA-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide

2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 51147451) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID51147451
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-20(2)25(23,24)17-12-14(9-10-15(17)19)18(22)21-11-5-7-13-6-3-4-8-16(13)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyVKZWMXPCZNQLIA-UHFFFAOYSA-N
XLogP3.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506
2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55873945
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-diethyl-2-fluorobenzenesulfonamide
CID 51147460
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 51147451) is 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is VKZWMXPCZNQLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-20(2)25(23,24)17-12-14(9-10-15(17)19)18(22)21-11-5-7-13-6-3-4-8-16(13)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide?
2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 51147451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).