N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide

C18H20N2O3S — CID 5021201

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20N2O3S/c1-20(2)24(22,23)17-8-4-7-15(12-17)18(21)19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12H,3,5-6H2,1-2H3,(H,19,21)
InChIKeyRJPOHBAGYLRJEF-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.68
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 5021201) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide
PubChem CID5021201
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20N2O3S/c1-20(2)24(22,23)17-8-4-7-15(12-17)18(21)19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12H,3,5-6H2,1-2H3,(H,19,21)
InChIKeyRJPOHBAGYLRJEF-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide (CID 5021201) is N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is RJPOHBAGYLRJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(2)24(22,23)17-8-4-7-15(12-17)18(21)19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12H,3,5-6H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 5021201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).