4-ethoxy-3-fluorobenzenesulfonamide

C8H10FNO3S — CID 43164444

IUPAC4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C8H10FNO3S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyJDVJUGFNIRVULR-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.87
Rot. Bonds3

About 4-ethoxy-3-fluorobenzenesulfonamide

4-ethoxy-3-fluorobenzenesulfonamide (PubChem CID 43164444) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-ethoxy-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluorobenzenesulfonamide
PubChem CID43164444
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C8H10FNO3S/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKeyJDVJUGFNIRVULR-UHFFFAOYSA-N
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
3-fluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82921786
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
5-amino-6-ethoxynaphthalene-2-sulfonamide
CID 154105512
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 82913717
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluorobenzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluorobenzenesulfonamide (CID 43164444) is 4-ethoxy-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluorobenzenesulfonamide is CCOc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-ethoxy-3-fluorobenzenesulfonamide?
The InChIKey is JDVJUGFNIRVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/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 4-ethoxy-3-fluorobenzenesulfonamide?
4-ethoxy-3-fluorobenzenesulfonamide has a molecular weight of 219.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluorobenzenesulfonamide is sourced from PubChem (CID 43164444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).