N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide

C17H19NO2S — CID 110780394

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19NO2S/c19-21(20,13-14-5-2-1-3-6-14)18-12-15-9-10-16-7-4-8-17(16)11-15/h1-3,5-6,9-11,18H,4,7-8,12-13H2
InChIKeyKMPVBYADAXMXJO-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.79
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide (PubChem CID 110780394) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
PubChem CID110780394
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19NO2S/c19-21(20,13-14-5-2-1-3-6-14)18-12-15-9-10-16-7-4-8-17(16)11-15/h1-3,5-6,9-11,18H,4,7-8,12-13H2
InChIKeyKMPVBYADAXMXJO-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 94501220
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
4-(2,3-dihydro-1H-inden-5-ylmethylsulfamoyl)benzoic acid
CID 110780398
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide
CID 90875893
N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39984880
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-phenoxyacetamide
CID 110780371
6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11326364
1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787136

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide (CID 110780394) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide?
The InChIKey is KMPVBYADAXMXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-21(20,13-14-5-2-1-3-6-14)18-12-15-9-10-16-7-4-8-17(16)11-15/h1-3,5-6,9-11,18H,4,7-8,12-13H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110780394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).