N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide

C16H18BrNO3S — CID 110426046

IUPACN-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C16H18BrNO3S/c1-12-6-7-16(15(17)10-12)18-22(19,20)9-8-13-4-3-5-14(11-13)21-2/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyWDRXBAOGLWJNFK-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.75
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide

N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110426046) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110426046
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C16H18BrNO3S/c1-12-6-7-16(15(17)10-12)18-22(19,20)9-8-13-4-3-5-14(11-13)21-2/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyWDRXBAOGLWJNFK-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001108
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423627
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide (CID 110426046) is N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is WDRXBAOGLWJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-12-6-7-16(15(17)10-12)18-22(19,20)9-8-13-4-3-5-14(11-13)21-2/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110426046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).