N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C23H20Cl2N2O3S — CID 17247925

IUPACN-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)ccc32)cc1
InChIInChI=1S/C23H20Cl2N2O3S/c1-15-4-6-16(7-5-15)23(28)27-12-2-3-17-13-19(9-11-22(17)27)31(29,30)26-21-10-8-18(24)14-20(21)25/h4-11,13-14,26H,2-3,12H2,1H3
InChIKeyCQHKJKVYDMBIIB-UHFFFAOYSA-N
MW475.40 g/mol
LogP5.70
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17247925) has the molecular formula C23H20Cl2N2O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17247925
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.40 g/mol
Exact Mass474.06
IUPAC NameN-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)ccc32)cc1
InChIInChI=1S/C23H20Cl2N2O3S/c1-15-4-6-16(7-5-15)23(28)27-12-2-3-17-13-19(9-11-22(17)27)31(29,30)26-21-10-8-18(24)14-20(21)25/h4-11,13-14,26H,2-3,12H2,1H3
InChIKeyCQHKJKVYDMBIIB-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

1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248022
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-(2-ethylphenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247908
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-(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-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
1-benzoyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247836
1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247963
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17247925) is N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)ccc32)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is CQHKJKVYDMBIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3S/c1-15-4-6-16(7-5-15)23(28)27-12-2-3-17-13-19(9-11-22(17)27)31(29,30)26-21-10-8-18(24)14-20(21)25/h4-11,13-14,26H,2-3,12H2,1H3.
What are the key properties of N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-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 N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17247925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).