N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide

C18H21NO2S — CID 94501220

IUPACN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO2S/c1-14(17-11-10-16-8-5-9-18(16)12-17)19-22(20,21)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3/t14-/m0/s1
InChIKeyWTVPBBZICHPOSL-AWEZNQCLSA-N
MW315.44 g/mol
LogP3.36
Rot. Bonds5

About N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 94501220) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID94501220
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO2S/c1-14(17-11-10-16-8-5-9-18(16)12-17)19-22(20,21)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3/t14-/m0/s1
InChIKeyWTVPBBZICHPOSL-AWEZNQCLSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]methanesulfonamide
CID 133188939
1-(2-fluorophenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 52857415
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
CID 110780394
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
N-(2,3-dihydro-1H-inden-5-yl)-1-phenylmethanesulfonamide
CID 6457501
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide (CID 94501220) is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is WTVPBBZICHPOSL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(17-11-10-16-8-5-9-18(16)12-17)19-22(20,21)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide?
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 94501220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).