N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide

C24H23F3N2O4S — CID 2962087

IUPACN-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H23F3N2O4S/c1-15-9-11-17(12-10-15)34(32,33)28-23(24(25,26)27)20-18(13-22(2,3)14-19(20)30)29(21(23)31)16-7-5-4-6-8-16/h4-12,28H,13-14H2,1-3H3
InChIKeyQVMSGSQXLASTCU-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.26
Rot. Bonds4

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

N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 2962087) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide
PubChem CID2962087
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC NameN-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H23F3N2O4S/c1-15-9-11-17(12-10-15)34(32,33)28-23(24(25,26)27)20-18(13-22(2,3)14-19(20)30)29(21(23)31)16-7-5-4-6-8-16/h4-12,28H,13-14H2,1-3H3
InChIKeyQVMSGSQXLASTCU-UHFFFAOYSA-N
XLogP4.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide (CID 2962087) is N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is QVMSGSQXLASTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-15-9-11-17(12-10-15)34(32,33)28-23(24(25,26)27)20-18(13-22(2,3)14-19(20)30)29(21(23)31)16-7-5-4-6-8-16/h4-12,28H,13-14H2,1-3H3.
What are the key properties of N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide?
N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 492.52 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2962087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).