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

C9H12BrNO2S — CID 28560459

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO2S/c1-7(11-14(2,12)13)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyVBKJAUSXTKHUMT-ZETCQYMHSA-N
MW278.17 g/mol
LogP2.06
Rot. Bonds3

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

N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide (PubChem CID 28560459) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide
PubChem CID28560459
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO2S/c1-7(11-14(2,12)13)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyVBKJAUSXTKHUMT-ZETCQYMHSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-alpha-methylbenzeneethanamine
CID 205668
1-(4-Bromophenyl)ethylamine
CID 91175
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
(+,-) Cis-propane-2-sulfonic Acid (2-p-bromophenyl-cyclopentyl)-amide
CID 11121532
(+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-cyclopentyl]-amide
CID 11782933
N-(2-bromobenzyl)methanesulfonamide
CID 17383997
N-(1-Phenylethyl)methanesulfonamide
CID 380740
(S)-1-(3-bromophenyl)ethanamine
CID 9952938
(alphaS)-4-Bromo-alpha-methylbenzenemethanamine
CID 852999
(R)-1-(3-bromophenyl)ethanamine
CID 22831503
2,2,2-trichloroethyl N-[1-(4-bromophenyl)ethyl]sulfamate
CID 24761800
1-(2-Bromophenyl)ethan-1-amine
CID 3825290

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide (CID 28560459) is N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide is C[C@H](NS(C)(=O)=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide?
The InChIKey is VBKJAUSXTKHUMT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-7(11-14(2,12)13)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide?
N-[(1S)-1-(4-bromophenyl)ethyl]methanesulfonamide has a molecular weight of 278.17 g/mol, XLogP of 2.06, 3 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]methanesulfonamide is sourced from PubChem (CID 28560459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).