4-bromo-3-ethoxybenzenesulfonamide

C8H10BrNO3S — CID 47000870

IUPAC4-bromo-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C8H10BrNO3S/c1-2-13-8-5-6(14(10,11)12)3-4-7(8)9/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyHHBPCMKKZMFPEX-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.50
Rot. Bonds3

About 4-bromo-3-ethoxybenzenesulfonamide

4-bromo-3-ethoxybenzenesulfonamide (PubChem CID 47000870) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 4-bromo-3-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxybenzenesulfonamide
PubChem CID47000870
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name4-bromo-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C8H10BrNO3S/c1-2-13-8-5-6(14(10,11)12)3-4-7(8)9/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyHHBPCMKKZMFPEX-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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Related Compounds

4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-cyano-3-ethoxybenzenesulfonamide
CID 5021737
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
4-bromo-3-ethoxyaniline
CID 7015503
(2S,6S)-4-(4-bromo-3-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 1243645
5-amino-6-ethoxynaphthalene-2-sulfonamide
CID 154105512
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 5312185
4-bromo-3-propoxybenzenesulfonyl chloride
CID 50876046
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxybenzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxybenzenesulfonamide (CID 47000870) is 4-bromo-3-ethoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxybenzenesulfonamide is CCOc1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 4-bromo-3-ethoxybenzenesulfonamide?
The InChIKey is HHBPCMKKZMFPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c1-2-13-8-5-6(14(10,11)12)3-4-7(8)9/h3-5H,2H2,1H3,(H2,10,11,12).
What are the key properties of 4-bromo-3-ethoxybenzenesulfonamide?
4-bromo-3-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 4-bromo-3-ethoxybenzenesulfonamide is sourced from PubChem (CID 47000870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).