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

C14H14BrNO3S — CID 35506490

IUPAC2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-7-8-14(11(15)9-10)20(17,18)16-12-5-3-4-6-13(12)19-2/h3-9,16H,1-2H3
InChIKeyAHEVWSVSCWKLCF-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.57
Rot. Bonds4

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

2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 35506490) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID35506490
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-7-8-14(11(15)9-10)20(17,18)16-12-5-3-4-6-13(12)19-2/h3-9,16H,1-2H3
InChIKeyAHEVWSVSCWKLCF-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
2-amino-5-bromo-4-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 106491308
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide (CID 35506490) is 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is AHEVWSVSCWKLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-10-7-8-14(11(15)9-10)20(17,18)16-12-5-3-4-6-13(12)19-2/h3-9,16H,1-2H3.
What are the key properties of 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 35506490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).