3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C10H14FNO3S — CID 3742601

IUPAC3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO3S/c1-12(6-7-15-2)16(13,14)10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeyMZYVOEBDDXGYNU-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.09
Rot. Bonds5

About 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 3742601) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID3742601
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO3S/c1-12(6-7-15-2)16(13,14)10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeyMZYVOEBDDXGYNU-UHFFFAOYSA-N
XLogP1.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 3742601) is 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is MZYVOEBDDXGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-12(6-7-15-2)16(13,14)10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 3742601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).