4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide

C9H12BrNO3S — CID 935668

IUPAC4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C)ccc1Br
InChIInChI=1S/C9H12BrNO3S/c1-11(2)15(12,13)7-4-5-8(10)9(6-7)14-3/h4-6H,1-3H3
InChIKeyGGKPIHFOEIUTQQ-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.71
Rot. Bonds3

About 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide

4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 935668) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID935668
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)C)ccc1Br
InChIInChI=1S/C9H12BrNO3S/c1-11(2)15(12,13)7-4-5-8(10)9(6-7)14-3/h4-6H,1-3H3
InChIKeyGGKPIHFOEIUTQQ-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
4-fluoro-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 850123
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]azepane
CID 800461
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 850060
4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide
CID 850071
N'-(4-bromophenyl)sulfonyl-4-methoxy-N-methylbenzenesulfonohydrazide
CID 13865987
N'-(4-bromophenyl)sulfonyl-4-methoxy-N'-methylbenzenesulfonohydrazide
CID 13866004
3-Methoxy-n,n,-dimethyl-benzenesulfonamide
CID 14774741
3-Bromo-4-ethoxybenzene-1-sulfonamide
CID 43164336

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide (CID 935668) is 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide is COc1cc(S(=O)(=O)N(C)C)ccc1Br.
What is the InChIKey of 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is GGKPIHFOEIUTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-11(2)15(12,13)7-4-5-8(10)9(6-7)14-3/h4-6H,1-3H3.
What are the key properties of 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide?
4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 935668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).