N-(4-bromo-2-ethylphenyl)methanesulfonamide

C9H12BrNO2S — CID 6469152

IUPACN-(4-bromo-2-ethylphenyl)methanesulfonamide
SMILESCCc1cc(Br)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H12BrNO2S/c1-3-7-6-8(10)4-5-9(7)11-14(2,12)13/h4-6,11H,3H2,1-2H3
InChIKeyGQVXCBNXSSNIAF-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.38
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)methanesulfonamide

N-(4-bromo-2-ethylphenyl)methanesulfonamide (PubChem CID 6469152) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)methanesulfonamide
PubChem CID6469152
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-(4-bromo-2-ethylphenyl)methanesulfonamide
SMILESCCc1cc(Br)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H12BrNO2S/c1-3-7-6-8(10)4-5-9(7)11-14(2,12)13/h4-6,11H,3H2,1-2H3
InChIKeyGQVXCBNXSSNIAF-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline
CID 81292858
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679
N-(4-bromo-2-iodophenyl)methanesulfonamide
CID 119088640
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
4-bromo-N-butyl-2-ethylaniline
CID 81291753
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)methanesulfonamide (CID 6469152) is N-(4-bromo-2-ethylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)methanesulfonamide is CCc1cc(Br)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)methanesulfonamide?
The InChIKey is GQVXCBNXSSNIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-3-7-6-8(10)4-5-9(7)11-14(2,12)13/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)methanesulfonamide?
N-(4-bromo-2-ethylphenyl)methanesulfonamide has a molecular weight of 278.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)methanesulfonamide is sourced from PubChem (CID 6469152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).