3-bromo-4-ethoxybenzenesulfonamide

C8H10BrNO3S — CID 43164336

IUPAC3-bromo-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C8H10BrNO3S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyHPKXXQSZGWJJPE-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.50
Rot. Bonds3

About 3-bromo-4-ethoxybenzenesulfonamide

3-bromo-4-ethoxybenzenesulfonamide (PubChem CID 43164336) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 3-bromo-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-ethoxybenzenesulfonamide
PubChem CID43164336
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name3-bromo-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C8H10BrNO3S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyHPKXXQSZGWJJPE-UHFFFAOYSA-N
XLogP1.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxybenzenesulfonamide?
The IUPAC name of 3-bromo-4-ethoxybenzenesulfonamide (CID 43164336) is 3-bromo-4-ethoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-ethoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-4-ethoxybenzenesulfonamide is CCOc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxybenzenesulfonamide?
The InChIKey is HPKXXQSZGWJJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-4-ethoxybenzenesulfonamide?
3-bromo-4-ethoxybenzenesulfonamide has a molecular weight of 280.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 43164336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).