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

C23H20Cl2N2O3S — CID 17248022

IUPAC1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3S/c1-15-13-19(25)8-10-21(15)26-31(29,30)20-9-11-22-17(14-20)3-2-12-27(22)23(28)16-4-6-18(24)7-5-16/h4-11,13-14,26H,2-3,12H2,1H3
InChIKeyKFUNHQWFGMRWCB-UHFFFAOYSA-N
MW475.40 g/mol
LogP5.70
Rot. Bonds4

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

1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248022) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248022
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.40 g/mol
Exact Mass474.06
IUPAC Name1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3S/c1-15-13-19(25)8-10-21(15)26-31(29,30)20-9-11-22-17(14-20)3-2-12-27(22)23(28)16-4-6-18(24)7-5-16/h4-11,13-14,26H,2-3,12H2,1H3
InChIKeyKFUNHQWFGMRWCB-UHFFFAOYSA-N
XLogP5.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247925
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
1-(4-chlorobenzoyl)-N-(2-ethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248009
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
CID 17248041
1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248027
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
N-(2-ethylphenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247908
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248022) is 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is KFUNHQWFGMRWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c1-15-13-19(25)8-10-21(15)26-31(29,30)20-9-11-22-17(14-20)3-2-12-27(22)23(28)16-4-6-18(24)7-5-16/h4-11,13-14,26H,2-3,12H2,1H3.
What are the key properties of 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 475.40 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).