3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide

C12H18FNO3S — CID 850124

IUPAC3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N(CC)CC)ccc1F
InChIInChI=1S/C12H18FNO3S/c1-4-14(5-2)18(15,16)10-7-8-11(13)12(9-10)17-6-3/h7-9H,4-6H2,1-3H3
InChIKeyOEHLGXNRFLPGDK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.25
Rot. Bonds6

About 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide

3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide (PubChem CID 850124) has the molecular formula C12H18FNO3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
PubChem CID850124
Molecular FormulaC12H18FNO3S
Molecular Weight275.35 g/mol
Exact Mass275.10
IUPAC Name3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)N(CC)CC)ccc1F
InChIInChI=1S/C12H18FNO3S/c1-4-14(5-2)18(15,16)10-7-8-11(13)12(9-10)17-6-3/h7-9H,4-6H2,1-3H3
InChIKeyOEHLGXNRFLPGDK-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide (CID 850124) is 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide is CCOc1cc(S(=O)(=O)N(CC)CC)ccc1F.
What is the InChIKey of 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide?
The InChIKey is OEHLGXNRFLPGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-4-14(5-2)18(15,16)10-7-8-11(13)12(9-10)17-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide?
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide has a molecular weight of 275.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 850124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).