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

C10H14BrNO4S — CID 9186293

IUPAC2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)C)cc1OC
InChIInChI=1S/C10H14BrNO4S/c1-12(2)17(13,14)10-6-9(16-4)8(15-3)5-7(10)11/h5-6H,1-4H3
InChIKeyGCBYPMGXTSRXBE-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.72
Rot. Bonds4

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

2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 9186293) has the molecular formula C10H14BrNO4S and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID9186293
Molecular FormulaC10H14BrNO4S
Molecular Weight324.20 g/mol
Exact Mass322.98
IUPAC Name2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)C)cc1OC
InChIInChI=1S/C10H14BrNO4S/c1-12(2)17(13,14)10-6-9(16-4)8(15-3)5-7(10)11/h5-6H,1-4H3
InChIKeyGCBYPMGXTSRXBE-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide (CID 9186293) is 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)N(C)C)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is GCBYPMGXTSRXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S/c1-12(2)17(13,14)10-6-9(16-4)8(15-3)5-7(10)11/h5-6H,1-4H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 324.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 9186293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).