N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C20H23ClN2O3S — CID 17248184

IUPACN-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O3S/c1-2-3-11-22-27(25,26)18-9-10-19-15(14-18)7-5-12-23(19)20(24)16-6-4-8-17(21)13-16/h4,6,8-10,13-14,22H,2-3,5,7,11-12H2,1H3
InChIKeyHWGAHHDVVHZTEQ-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.01
Rot. Bonds6

About N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248184) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248184
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O3S/c1-2-3-11-22-27(25,26)18-9-10-19-15(14-18)7-5-12-23(19)20(24)16-6-4-8-17(21)13-16/h4,6,8-10,13-14,22H,2-3,5,7,11-12H2,1H3
InChIKeyHWGAHHDVVHZTEQ-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
1-(3-chlorobenzoyl)-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248264
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248191
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
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
N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248278
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248184) is N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is HWGAHHDVVHZTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-2-3-11-22-27(25,26)18-9-10-19-15(14-18)7-5-12-23(19)20(24)16-6-4-8-17(21)13-16/h4,6,8-10,13-14,22H,2-3,5,7,11-12H2,1H3.
What are the key properties of N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 406.94 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).