1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H27ClN2O3S — CID 17248191

IUPAC1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21
InChIInChI=1S/C24H27ClN2O3S/c25-21-10-4-8-20(16-21)24(28)27-15-5-9-19-17-22(11-12-23(19)27)31(29,30)26-14-13-18-6-2-1-3-7-18/h4,6,8,10-12,16-17,26H,1-3,5,7,9,13-15H2
InChIKeyABQPOFMABXMCLX-UHFFFAOYSA-N
MW459.01 g/mol
LogP5.10
Rot. Bonds6

About 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248191) has the molecular formula C24H27ClN2O3S and a molecular weight of 459.01 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248191
Molecular FormulaC24H27ClN2O3S
Molecular Weight459.01 g/mol
Exact Mass458.14
IUPAC Name1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21
InChIInChI=1S/C24H27ClN2O3S/c25-21-10-4-8-20(16-21)24(28)27-15-5-9-19-17-22(11-12-23(19)27)31(29,30)26-14-13-18-6-2-1-3-7-18/h4,6,8,10-12,16-17,26H,1-3,5,7,9,13-15H2
InChIKeyABQPOFMABXMCLX-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.01
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-(3-chlorobenzoyl)-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248264
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248278
1-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248236
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248191) is 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is ABQPOFMABXMCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3S/c25-21-10-4-8-20(16-21)24(28)27-15-5-9-19-17-22(11-12-23(19)27)31(29,30)26-14-13-18-6-2-1-3-7-18/h4,6,8,10-12,16-17,26H,1-3,5,7,9,13-15H2.
What are the key properties of 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 459.01 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).