3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide

C29H21F3N4O5S — CID 69433278

IUPAC3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
SMILESCC1=C(c2c[nH]c(=O)[nH]c2=O)c2ccccc2C1C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C29H21F3N4O5S/c1-14-23(21-13-33-28(39)35-26(21)37)18-4-2-3-5-19(18)24(14)25-20-12-17(10-11-22(20)34-27(25)38)42(40,41)36-16-8-6-15(7-9-16)29(30,31)32/h2-13,24-25,36H,1H3,(H,34,38)(H2,33,35,37,39)
InChIKeyCOXYDRXASSDFCC-UHFFFAOYSA-N
MW594.57 g/mol
LogP4.54
Rot. Bonds5

About 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide

3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide (PubChem CID 69433278) has the molecular formula C29H21F3N4O5S and a molecular weight of 594.57 g/mol. Its IUPAC name is 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
PubChem CID69433278
Molecular FormulaC29H21F3N4O5S
Molecular Weight594.57 g/mol
Exact Mass594.12
IUPAC Name3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
SMILESCC1=C(c2c[nH]c(=O)[nH]c2=O)c2ccccc2C1C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C29H21F3N4O5S/c1-14-23(21-13-33-28(39)35-26(21)37)18-4-2-3-5-19(18)24(14)25-20-12-17(10-11-22(20)34-27(25)38)42(40,41)36-16-8-6-15(7-9-16)29(30,31)32/h2-13,24-25,36H,1H3,(H,34,38)(H2,33,35,37,39)
InChIKeyCOXYDRXASSDFCC-UHFFFAOYSA-N
XLogP4.54
TPSA140.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.57
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

3-[3-(1-hydroxynaphthalen-2-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
CID 69434982
3-[2-(naphthalen-2-ylmethyl)-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide
CID 70008860
3-methyl-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516538
3-[3-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-2-methyl-1H-inden-1-yl]-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 69447045
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
ethyl 4-(2-ethoxy-2-oxoethyl)-3-(3-ethoxy-3-oxopropyl)-5-[2-methyl-3-[5-(methylsulfamoyl)-2-oxo-1,3-dihydroindol-3-yl]-3H-inden-1-yl]-1H-pyrrole-2-carboxylate
CID 69444621
3-[(2-fluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57305075
3-[(5-methylfuran-2-yl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57212134
3-ethyl-3-methyl-2,5-dioxo-N-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,4-benzodiazepine-7-sulfonamide
CID 71603096
2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57086816
3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57062180
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide (CID 69433278) is 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide is CC1=C(c2c[nH]c(=O)[nH]c2=O)c2ccccc2C1C1C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
The InChIKey is COXYDRXASSDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O5S/c1-14-23(21-13-33-28(39)35-26(21)37)18-4-2-3-5-19(18)24(14)25-20-12-17(10-11-22(20)34-27(25)38)42(40,41)36-16-8-6-15(7-9-16)29(30,31)32/h2-13,24-25,36H,1H3,(H,34,38)(H2,33,35,37,39).
What are the key properties of 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide?
3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide has a molecular weight of 594.57 g/mol, XLogP of 4.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methyl-1H-inden-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 69433278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).