N-(2-bromo-4-methoxyphenyl)ethanesulfonamide

C9H12BrNO3S — CID 171393230

IUPACN-(2-bromo-4-methoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC)cc1Br
InChIInChI=1S/C9H12BrNO3S/c1-3-15(12,13)11-9-5-4-7(14-2)6-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyZGAQSVDZZUNOPK-UHFFFAOYSA-N
MW294.17 g/mol
LogP2.22
Rot. Bonds4

About N-(2-bromo-4-methoxyphenyl)ethanesulfonamide

N-(2-bromo-4-methoxyphenyl)ethanesulfonamide (PubChem CID 171393230) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is N-(2-bromo-4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methoxyphenyl)ethanesulfonamide
PubChem CID171393230
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC NameN-(2-bromo-4-methoxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC)cc1Br
InChIInChI=1S/C9H12BrNO3S/c1-3-15(12,13)11-9-5-4-7(14-2)6-8(9)10/h4-6,11H,3H2,1-2H3
InChIKeyZGAQSVDZZUNOPK-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-bromo-4-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 171393233
2-bromo-N-ethyl-4-methoxyaniline
CID 130675906
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
ethyl 3-bromo-4-(ethylsulfonylamino)benzoate
CID 43624445
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
2-bromo-N-fluoro-4-methoxyaniline
CID 174521230
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
CID 114808853
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(2-bromo-4-methoxyphenyl)ethanesulfonamide (CID 171393230) is N-(2-bromo-4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-methoxyphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC)cc1Br.
What is the InChIKey of N-(2-bromo-4-methoxyphenyl)ethanesulfonamide?
The InChIKey is ZGAQSVDZZUNOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-3-15(12,13)11-9-5-4-7(14-2)6-8(9)10/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(2-bromo-4-methoxyphenyl)ethanesulfonamide?
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 171393230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).