4-bromo-5-methoxy-2-methylbenzenesulfonamide

C8H10BrNO3S — CID 154254262

IUPAC4-bromo-5-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)c(C)cc1Br
InChIInChI=1S/C8H10BrNO3S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyAOWZMBCNUWYVIZ-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.41
Rot. Bonds2

About 4-bromo-5-methoxy-2-methylbenzenesulfonamide

4-bromo-5-methoxy-2-methylbenzenesulfonamide (PubChem CID 154254262) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-5-methoxy-2-methylbenzenesulfonamide
PubChem CID154254262
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name4-bromo-5-methoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)c(C)cc1Br
InChIInChI=1S/C8H10BrNO3S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyAOWZMBCNUWYVIZ-UHFFFAOYSA-N
XLogP1.41
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2,4,5-trimethylbenzenesulfonamide
CID 961422
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
methyl 2-bromo-4-methyl-5-sulfamoylbenzoate
CID 18937264
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
4-cyano-2-methoxy-5-methylbenzenesulfonamide
CID 171026986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-5-methoxy-2-methylbenzenesulfonamide (CID 154254262) is 4-bromo-5-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-5-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-5-methoxy-2-methylbenzenesulfonamide is COc1cc(S(N)(=O)=O)c(C)cc1Br.
What is the InChIKey of 4-bromo-5-methoxy-2-methylbenzenesulfonamide?
The InChIKey is AOWZMBCNUWYVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 4-bromo-5-methoxy-2-methylbenzenesulfonamide?
4-bromo-5-methoxy-2-methylbenzenesulfonamide has a molecular weight of 280.14 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 154254262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).