1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide

C18H15F3N4O3S — CID 86974733

IUPAC1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC2
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)13-3-1-2-12(8-13)17-23-16(28-24-17)10-25-7-6-11-4-5-14(9-15(11)25)29(22,26)27/h1-5,8-9H,6-7,10H2,(H2,22,26,27)
InChIKeyPEQTWUPBPGYUMD-UHFFFAOYSA-N
MW424.40 g/mol
LogP2.97
Rot. Bonds4

About 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide

1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86974733) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86974733
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC2
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)13-3-1-2-12(8-13)17-23-16(28-24-17)10-25-7-6-11-4-5-14(9-15(11)25)29(22,26)27/h1-5,8-9H,6-7,10H2,(H2,22,26,27)
InChIKeyPEQTWUPBPGYUMD-UHFFFAOYSA-N
XLogP2.97
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25382319
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 71881958
5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 134036376
5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
CID 30175663
1-phenyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
CID 167997703
5-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55487592
6-ethylsulfonyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one
CID 53101115
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 41328061
1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 71971133
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46558716
3,3-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 120774537
5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 24680085

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide (CID 86974733) is 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC2.
What is the InChIKey of 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is PEQTWUPBPGYUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c19-18(20,21)13-3-1-2-12(8-13)17-23-16(28-24-17)10-25-7-6-11-4-5-14(9-15(11)25)29(22,26)27/h1-5,8-9H,6-7,10H2,(H2,22,26,27).
What are the key properties of 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide?
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 424.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86974733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).