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

C22H17Cl3N2O3S — CID 17248027

IUPAC1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C22H17Cl3N2O3S/c23-16-5-3-14(4-6-16)22(28)27-11-1-2-15-12-18(8-10-21(15)27)31(29,30)26-17-7-9-19(24)20(25)13-17/h3-10,12-13,26H,1-2,11H2
InChIKeyOBYLJUKZGVJFHS-UHFFFAOYSA-N
MW495.82 g/mol
LogP6.04
Rot. Bonds4

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

1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248027) has the molecular formula C22H17Cl3N2O3S and a molecular weight of 495.82 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248027
Molecular FormulaC22H17Cl3N2O3S
Molecular Weight495.82 g/mol
Exact Mass494.00
IUPAC Name1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C22H17Cl3N2O3S/c23-16-5-3-14(4-6-16)22(28)27-11-1-2-15-12-18(8-10-21(15)27)31(29,30)26-17-7-9-19(24)20(25)13-17/h3-10,12-13,26H,1-2,11H2
InChIKeyOBYLJUKZGVJFHS-UHFFFAOYSA-N
XLogP6.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.82
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248022
N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247925
1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-(4-chlorobenzoyl)-N-(2-ethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248009
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
CID 17248041
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247998
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248027) is 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is OBYLJUKZGVJFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N2O3S/c23-16-5-3-14(4-6-16)22(28)27-11-1-2-15-12-18(8-10-21(15)27)31(29,30)26-17-7-9-19(24)20(25)13-17/h3-10,12-13,26H,1-2,11H2.
What are the key properties of 1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 495.82 g/mol, XLogP of 6.04, 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-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).