5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide

C15H15BrClNO3S — CID 74225212

IUPAC5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C15H15BrClNO3S/c1-9-6-10(2)15(12(17)7-9)18-22(19,20)14-8-11(16)4-5-13(14)21-3/h4-8,18H,1-3H3
InChIKeyPJTJGBUOSDQHRT-UHFFFAOYSA-N
MW404.71 g/mol
LogP4.53
Rot. Bonds4

About 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide

5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 74225212) has the molecular formula C15H15BrClNO3S and a molecular weight of 404.71 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
PubChem CID74225212
Molecular FormulaC15H15BrClNO3S
Molecular Weight404.71 g/mol
Exact Mass402.96
IUPAC Name5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C15H15BrClNO3S/c1-9-6-10(2)15(12(17)7-9)18-22(19,20)14-8-11(16)4-5-13(14)21-3/h4-8,18H,1-3H3
InChIKeyPJTJGBUOSDQHRT-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide (CID 74225212) is 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is PJTJGBUOSDQHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO3S/c1-9-6-10(2)15(12(17)7-9)18-22(19,20)14-8-11(16)4-5-13(14)21-3/h4-8,18H,1-3H3.
What are the key properties of 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 404.71 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 74225212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).