2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide

C10H14BrNO4S — CID 847873

IUPAC2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C10H14BrNO4S/c1-4-12-17(13,14)10-6-9(16-3)8(15-2)5-7(10)11/h5-6,12H,4H2,1-3H3
InChIKeyNJYMGMZLHHRHSQ-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.76
Rot. Bonds5

About 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide

2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide (PubChem CID 847873) has the molecular formula C10H14BrNO4S and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide
PubChem CID847873
Molecular FormulaC10H14BrNO4S
Molecular Weight324.20 g/mol
Exact Mass322.98
IUPAC Name2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C10H14BrNO4S/c1-4-12-17(13,14)10-6-9(16-3)8(15-2)5-7(10)11/h5-6,12H,4H2,1-3H3
InChIKeyNJYMGMZLHHRHSQ-UHFFFAOYSA-N
XLogP1.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-allyl-3,4-dimethoxybenzenesulfonamide
CID 3114015
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 45835976
N-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 71888734
N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 1184065
2-bromo-4,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 9186307
2-Bromo-4,5-dimethoxy-1-[(4-methylpiperazinyl)sulfonyl]benzene
CID 1184066
2-Bromo-4,5-dimethoxybenzene-1-sulfonyl chloride
CID 4962475
4-(2-Bromo-4,5-dimethoxyphenyl)sulfonylmorpholine
CID 990999
N-(3-aminopropyl)-2-bromo-5-methoxybenzenesulfonamide
CID 86780605
3,4-dimethoxy-N-propylbenzenesulfonamide
CID 1815764
N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 3368207
2-Bromo-4,5-dimethoxybenzenesulfonamide
CID 4962584

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide (CID 847873) is 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide is CCNS(=O)(=O)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide?
The InChIKey is NJYMGMZLHHRHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S/c1-4-12-17(13,14)10-6-9(16-3)8(15-2)5-7(10)11/h5-6,12H,4H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide?
2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide has a molecular weight of 324.20 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 847873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).