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

C10H14BrNO2S — CID 28560656

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2S/c1-3-15(13,14)12-8(2)9-4-6-10(11)7-5-9/h4-8,12H,3H2,1-2H3/t8-/m0/s1
InChIKeyJEENTKGZVSOEMX-QMMMGPOBSA-N
MW292.20 g/mol
LogP2.45
Rot. Bonds4

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

N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide (PubChem CID 28560656) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
PubChem CID28560656
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2S/c1-3-15(13,14)12-8(2)9-4-6-10(11)7-5-9/h4-8,12H,3H2,1-2H3/t8-/m0/s1
InChIKeyJEENTKGZVSOEMX-QMMMGPOBSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyanomethanesulfonamide
CID 106833750
N-[1-(4-bromophenyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106049594
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037887
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
N-[1-(4-bromophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 55171538
N-[1-(4-bromophenyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106049535
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
(E)-3-[4-[1-(ethylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
CID 109375021

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide (CID 28560656) is N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide?
The InChIKey is JEENTKGZVSOEMX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-15(13,14)12-8(2)9-4-6-10(11)7-5-9/h4-8,12H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide?
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.45, 4 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]ethanesulfonamide is sourced from PubChem (CID 28560656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).