N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide

C9H11BrClNO2S — CID 122140732

IUPACN-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cc(Cl)ccc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-15(13,14)12-5-4-7-6-8(11)2-3-9(7)10/h2-3,6,12H,4-5H2,1H3
InChIKeyWVYGYXFTOGMZHN-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide

N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide (PubChem CID 122140732) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
PubChem CID122140732
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC NameN-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1cc(Cl)ccc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-15(13,14)12-5-4-7-6-8(11)2-3-9(7)10/h2-3,6,12H,4-5H2,1H3
InChIKeyWVYGYXFTOGMZHN-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-bromo-5-chlorophenyl)methylamino]propyl]methanesulfonamide
CID 103707668
4-chloro-2-[2-(methanesulfonamido)ethyl]benzenesulfonic acid
CID 54148909
N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline
CID 133451375
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
CID 75445405
N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113071964
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
2-(2-bromo-5-chlorophenyl)-N-(2-fluorophenyl)ethanesulfonamide
CID 69260977

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide (CID 122140732) is N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide?
The InChIKey is WVYGYXFTOGMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-15(13,14)12-5-4-7-6-8(11)2-3-9(7)10/h2-3,6,12H,4-5H2,1H3.
What are the key properties of N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide?
N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 122140732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).