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

C22H18Cl2N2O3S — CID 17248218

IUPAC1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C22H18Cl2N2O3S/c23-17-6-1-4-16(12-17)22(27)26-11-3-5-15-13-20(9-10-21(15)26)30(28,29)25-19-8-2-7-18(24)14-19/h1-2,4,6-10,12-14,25H,3,5,11H2
InChIKeyRZACXVIPRBPKSY-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.39
Rot. Bonds4

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

1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248218) has the molecular formula C22H18Cl2N2O3S and a molecular weight of 461.37 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248218
Molecular FormulaC22H18Cl2N2O3S
Molecular Weight461.37 g/mol
Exact Mass460.04
IUPAC Name1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C22H18Cl2N2O3S/c23-17-6-1-4-16(12-17)22(27)26-11-3-5-15-13-20(9-10-21(15)26)30(28,29)25-19-8-2-7-18(24)14-19/h1-2,4,6-10,12-14,25H,3,5,11H2
InChIKeyRZACXVIPRBPKSY-UHFFFAOYSA-N
XLogP5.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
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-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248278
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248218) is 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is RZACXVIPRBPKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3S/c23-17-6-1-4-16(12-17)22(27)26-11-3-5-15-13-20(9-10-21(15)26)30(28,29)25-19-8-2-7-18(24)14-19/h1-2,4,6-10,12-14,25H,3,5,11H2.
What are the key properties of 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 461.37 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).