4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide

C23H22Cl2N2O4S — CID 25044981

IUPAC4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(=O)CC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N2O4S/c1-23(2)11-19-22(20(28)12-23)17(16-8-3-13(24)9-18(16)25)10-21(29)27(19)14-4-6-15(7-5-14)32(26,30)31/h3-9,17H,10-12H2,1-2H3,(H2,26,30,31)
InChIKeyUEQGPSYZGZXQFB-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.80
Rot. Bonds3

About 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide

4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide (PubChem CID 25044981) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
PubChem CID25044981
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(=O)CC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N2O4S/c1-23(2)11-19-22(20(28)12-23)17(16-8-3-13(24)9-18(16)25)10-21(29)27(19)14-4-6-15(7-5-14)32(26,30)31/h3-9,17H,10-12H2,1-2H3,(H2,26,30,31)
InChIKeyUEQGPSYZGZXQFB-UHFFFAOYSA-N
XLogP4.80
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide with MolForge

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Related Compounds

(4R)-4-(2,4-dichlorophenyl)-7,7-dimethyl-1-phenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1266585
4-[7,7-dimethyl-2,5-dioxo-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
CID 25037018
N-[4-[4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]phenyl]acetamide
CID 23999053
4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4310327
4-[4-(2,3-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25042120
methyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3411934
N-[4-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
CID 23887252
7,7-dimethyl-1-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 6496579
4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23915330
4-[4-(2,6-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25045338
(4R)-1-(4-fluorophenyl)-7,7-dimethyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 1264268
7,7-dimethyl-4-(2-methylphenyl)-1-(4-phenoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773221

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide (CID 25044981) is 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide is CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(=O)CC2c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide?
The InChIKey is UEQGPSYZGZXQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-23(2)11-19-22(20(28)12-23)17(16-8-3-13(24)9-18(16)25)10-21(29)27(19)14-4-6-15(7-5-14)32(26,30)31/h3-9,17H,10-12H2,1-2H3,(H2,26,30,31).
What are the key properties of 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide?
4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide has a molecular weight of 493.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide is sourced from PubChem (CID 25044981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).