2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide

C9H12BrNO4S — CID 9186307

IUPAC2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C9H12BrNO4S/c1-11-16(12,13)9-5-8(15-3)7(14-2)4-6(9)10/h4-5,11H,1-3H3
InChIKeyDDLOQCYMDABSIK-UHFFFAOYSA-N
MW310.17 g/mol
LogP1.37
Rot. Bonds4

About 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide

2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 9186307) has the molecular formula C9H12BrNO4S and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
PubChem CID9186307
Molecular FormulaC9H12BrNO4S
Molecular Weight310.17 g/mol
Exact Mass308.97
IUPAC Name2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C9H12BrNO4S/c1-11-16(12,13)9-5-8(15-3)7(14-2)4-6(9)10/h4-5,11H,1-3H3
InChIKeyDDLOQCYMDABSIK-UHFFFAOYSA-N
XLogP1.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide (CID 9186307) is 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is DDLOQCYMDABSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO4S/c1-11-16(12,13)9-5-8(15-3)7(14-2)4-6(9)10/h4-5,11H,1-3H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide?
2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 310.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 9186307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).