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

C16H17NO2S — CID 6457501

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H17NO2S/c18-20(19,12-13-5-2-1-3-6-13)17-16-10-9-14-7-4-8-15(14)11-16/h1-3,5-6,9-11,17H,4,7-8,12H2
InChIKeyZDPOOGORTFXXIU-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.12
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide (PubChem CID 6457501) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
PubChem CID6457501
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H17NO2S/c18-20(19,12-13-5-2-1-3-6-13)17-16-10-9-14-7-4-8-15(14)11-16/h1-3,5-6,9-11,17H,4,7-8,12H2
InChIKeyZDPOOGORTFXXIU-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide
CID 110726216
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
CID 110780394
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 94501220
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
CID 43654045
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(2H-benzotriazol-5-yl)-1-phenylmethanesulfonamide
CID 74225109
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-phenylmethanesulfonamide
CID 27210910
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 16944328
5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide
CID 8513731
N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110726218

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide (CID 6457501) is N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is ZDPOOGORTFXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-20(19,12-13-5-2-1-3-6-13)17-16-10-9-14-7-4-8-15(14)11-16/h1-3,5-6,9-11,17H,4,7-8,12H2.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 3.12, 4 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-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 6457501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).