4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide

C24H22ClF3N2O4S — CID 3608301

IUPAC4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide
SMILESCc1ccc(N2C(=O)C(NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H22ClF3N2O4S/c1-14-4-8-16(9-5-14)30-18-12-22(2,3)13-19(31)20(18)23(21(30)32,24(26,27)28)29-35(33,34)17-10-6-15(25)7-11-17/h4-11,29H,12-13H2,1-3H3
InChIKeyNDIGSYAXUKCQTE-UHFFFAOYSA-N
MW526.96 g/mol
LogP4.92
Rot. Bonds4

About 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide

4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide (PubChem CID 3608301) has the molecular formula C24H22ClF3N2O4S and a molecular weight of 526.96 g/mol. Its IUPAC name is 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide
PubChem CID3608301
Molecular FormulaC24H22ClF3N2O4S
Molecular Weight526.96 g/mol
Exact Mass526.09
IUPAC Name4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide
SMILESCc1ccc(N2C(=O)C(NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H22ClF3N2O4S/c1-14-4-8-16(9-5-14)30-18-12-22(2,3)13-19(31)20(18)23(21(30)32,24(26,27)28)29-35(33,34)17-10-6-15(25)7-11-17/h4-11,29H,12-13H2,1-3H3
InChIKeyNDIGSYAXUKCQTE-UHFFFAOYSA-N
XLogP4.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.96
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide (CID 3608301) is 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide is Cc1ccc(N2C(=O)C(NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide?
The InChIKey is NDIGSYAXUKCQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O4S/c1-14-4-8-16(9-5-14)30-18-12-22(2,3)13-19(31)20(18)23(21(30)32,24(26,27)28)29-35(33,34)17-10-6-15(25)7-11-17/h4-11,29H,12-13H2,1-3H3.
What are the key properties of 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide?
4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide has a molecular weight of 526.96 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzenesulfonamide is sourced from PubChem (CID 3608301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).