N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide

C20H19F3N2O3S — CID 155920044

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3S/c21-20(22,23)15-7-1-6-14(11-15)19(26)25-29(27,28)24-18-16-8-2-4-12(16)10-13-5-3-9-17(13)18/h1,6-7,10-11,24H,2-5,8-9H2,(H,25,26)
InChIKeyDGIBDMRBGBZGGL-UHFFFAOYSA-N
MW424.44 g/mol
LogP3.77
Rot. Bonds4

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide (PubChem CID 155920044) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide
PubChem CID155920044
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3S/c21-20(22,23)15-7-1-6-14(11-15)19(26)25-29(27,28)24-18-16-8-2-4-12(16)10-13-5-3-9-17(13)18/h1,6-7,10-11,24H,2-5,8-9H2,(H,25,26)
InChIKeyDGIBDMRBGBZGGL-UHFFFAOYSA-N
XLogP3.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide (CID 155920044) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide is O=C(NS(=O)(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide?
The InChIKey is DGIBDMRBGBZGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c21-20(22,23)15-7-1-6-14(11-15)19(26)25-29(27,28)24-18-16-8-2-4-12(16)10-13-5-3-9-17(13)18/h1,6-7,10-11,24H,2-5,8-9H2,(H,25,26).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide has a molecular weight of 424.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylsulfamoyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155920044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).