4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide

C11H14BrNO3S — CID 25252499

IUPAC4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Br)c(OCC)c1
InChIInChI=1S/C11H14BrNO3S/c1-3-7-13-17(14,15)9-5-6-10(12)11(8-9)16-4-2/h3,5-6,8,13H,1,4,7H2,2H3
InChIKeyJYWAUPLYZVATEI-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.31
Rot. Bonds6

About 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide

4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 25252499) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID25252499
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Br)c(OCC)c1
InChIInChI=1S/C11H14BrNO3S/c1-3-7-13-17(14,15)9-5-6-10(12)11(8-9)16-4-2/h3,5-6,8,13H,1,4,7H2,2H3
InChIKeyJYWAUPLYZVATEI-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 5312185
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 27243561
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
3-bromo-4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973197
4-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 47071432
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
6-bromo-N-prop-2-enylpyridine-3-sulfonamide
CID 82093746

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide (CID 25252499) is 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(Br)c(OCC)c1.
What is the InChIKey of 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is JYWAUPLYZVATEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-3-7-13-17(14,15)9-5-6-10(12)11(8-9)16-4-2/h3,5-6,8,13H,1,4,7H2,2H3.
What are the key properties of 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide?
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 320.21 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 25252499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).