4-bromo-3-ethoxy-N-ethylbenzenesulfonamide

C10H14BrNO3S — CID 39845206

IUPAC4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(OCC)c1
InChIInChI=1S/C10H14BrNO3S/c1-3-12-16(13,14)8-5-6-9(11)10(7-8)15-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyIBDPVSNYHLTKKZ-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.15
Rot. Bonds5

About 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide

4-bromo-3-ethoxy-N-ethylbenzenesulfonamide (PubChem CID 39845206) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
PubChem CID39845206
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(OCC)c1
InChIInChI=1S/C10H14BrNO3S/c1-3-12-16(13,14)8-5-6-9(11)10(7-8)15-4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyIBDPVSNYHLTKKZ-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
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-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
3-bromo-4-ethoxy-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664517
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide (CID 39845206) is 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(Br)c(OCC)c1.
What is the InChIKey of 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide?
The InChIKey is IBDPVSNYHLTKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-3-12-16(13,14)8-5-6-9(11)10(7-8)15-4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 4-bromo-3-ethoxy-N-ethylbenzenesulfonamide?
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 2.15, 5 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-ethylbenzenesulfonamide is sourced from PubChem (CID 39845206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).