3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

C13H14FNO3S2 — CID 90584016

IUPAC3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(F)c1)c1ccsc1
InChIInChI=1S/C13H14FNO3S2/c1-18-13(10-5-6-19-9-10)8-15-20(16,17)12-4-2-3-11(14)7-12/h2-7,9,13,15H,8H2,1H3
InChIKeyZYHFEZLWEHOGIK-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.55
Rot. Bonds6

About 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 90584016) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID90584016
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC Name3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(F)c1)c1ccsc1
InChIInChI=1S/C13H14FNO3S2/c1-18-13(10-5-6-19-9-10)8-15-20(16,17)12-4-2-3-11(14)7-12/h2-7,9,13,15H,8H2,1H3
InChIKeyZYHFEZLWEHOGIK-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 90584016) is 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is COC(CNS(=O)(=O)c1cccc(F)c1)c1ccsc1.
What is the InChIKey of 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is ZYHFEZLWEHOGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-18-13(10-5-6-19-9-10)8-15-20(16,17)12-4-2-3-11(14)7-12/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90584016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).