N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide

C15H16BrNO2S — CID 33037887

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-12(14-7-9-15(16)10-8-14)17-20(18,19)11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3/t12-/m0/s1
InChIKeyUGMUZDYJDFYDKK-LBPRGKRZSA-N
MW354.27 g/mol
LogP3.63
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide

N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 33037887) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID33037887
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c1-12(14-7-9-15(16)10-8-14)17-20(18,19)11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3/t12-/m0/s1
InChIKeyUGMUZDYJDFYDKK-LBPRGKRZSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
1-phenyl-N-[1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 25036786
1-phenyl-N-[(1R)-1-(4-phenylphenyl)ethyl]methanesulfonamide
CID 26529706
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
CID 28560656
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyanomethanesulfonamide
CID 106833750
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
(2R)-2-(benzylsulfonylamino)-N-[(1S)-1-(4-bromophenyl)propyl]propanamide
CID 51966035
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 94501220
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-[1-(4-bromophenyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106049535
N-[1-(4-bromophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 55171538
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide (CID 33037887) is N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is UGMUZDYJDFYDKK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-12(14-7-9-15(16)10-8-14)17-20(18,19)11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 33037887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).