1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H17Cl3N2O3S — CID 17248230

IUPAC1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C22H17Cl3N2O3S/c23-16-5-1-3-15(9-16)22(28)27-8-2-4-14-10-20(6-7-21(14)27)31(29,30)26-19-12-17(24)11-18(25)13-19/h1,3,5-7,9-13,26H,2,4,8H2
InChIKeyMUKVONDMDXWKPE-UHFFFAOYSA-N
MW495.82 g/mol
LogP6.04
Rot. Bonds4

About 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248230) has the molecular formula C22H17Cl3N2O3S and a molecular weight of 495.82 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248230
Molecular FormulaC22H17Cl3N2O3S
Molecular Weight495.82 g/mol
Exact Mass494.00
IUPAC Name1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C22H17Cl3N2O3S/c23-16-5-1-3-15(9-16)22(28)27-8-2-4-14-10-20(6-7-21(14)27)31(29,30)26-19-12-17(24)11-18(25)13-19/h1,3,5-7,9-13,26H,2,4,8H2
InChIKeyMUKVONDMDXWKPE-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

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Related Compounds

1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
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
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-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
1-(3-chlorobenzoyl)-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248191
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-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248230) is 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is MUKVONDMDXWKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N2O3S/c23-16-5-1-3-15(9-16)22(28)27-8-2-4-14-10-20(6-7-21(14)27)31(29,30)26-19-12-17(24)11-18(25)13-19/h1,3,5-7,9-13,26H,2,4,8H2.
What are the key properties of 1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(3-chlorobenzoyl)-N-(3,5-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-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).