2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide

C18H17F3N2O3S — CID 8843607

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)11-22-17(24)15-6-1-2-7-16(15)23-27(25,26)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10,23H,3-5,11H2,(H,22,24)
InChIKeyANHYEJPFFJVGSM-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.27
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide

2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8843607) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8843607
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)11-22-17(24)15-6-1-2-7-16(15)23-27(25,26)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10,23H,3-5,11H2,(H,22,24)
InChIKeyANHYEJPFFJVGSM-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55490088
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843752
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843753
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
CID 47092045
2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8843582
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24502358
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38890994
dimethyl 2-[[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24502350

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 8843607) is 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ANHYEJPFFJVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-18(20,21)11-22-17(24)15-6-1-2-7-16(15)23-27(25,26)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10,23H,3-5,11H2,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide?
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 398.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8843607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).