N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide

C14H14BrNO3S — CID 47104436

IUPACN-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-7-8-12(11(15)9-10)16-20(17,18)14-6-4-3-5-13(14)19-2/h3-9,16H,1-2H3
InChIKeyUUVHHAIHKWFXTA-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.57
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide

N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 47104436) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
PubChem CID47104436
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-7-8-12(11(15)9-10)16-20(17,18)14-6-4-3-5-13(14)19-2/h3-9,16H,1-2H3
InChIKeyUUVHHAIHKWFXTA-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

2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104373
2-[(2-bromo-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 29296828
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966
N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 71013503
N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide (CID 47104436) is N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is UUVHHAIHKWFXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-10-7-8-12(11(15)9-10)16-20(17,18)14-6-4-3-5-13(14)19-2/h3-9,16H,1-2H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide?
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide 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 N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 47104436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).