1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide

C14H16F2N2O2S2 — CID 75437734

IUPAC1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCCN(CCc1nccs1)S(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C14H16F2N2O2S2/c1-2-18(8-6-14-17-7-9-21-14)22(19,20)10-11-12(15)4-3-5-13(11)16/h3-5,7,9H,2,6,8,10H2,1H3
InChIKeyOGMUBMCJSJNBNF-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.82
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide

1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 75437734) has the molecular formula C14H16F2N2O2S2 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
PubChem CID75437734
Molecular FormulaC14H16F2N2O2S2
Molecular Weight346.42 g/mol
Exact Mass346.06
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCCN(CCc1nccs1)S(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C14H16F2N2O2S2/c1-2-18(8-6-14-17-7-9-21-14)22(19,20)10-11-12(15)4-3-5-13(11)16/h3-5,7,9H,2,6,8,10H2,1H3
InChIKeyOGMUBMCJSJNBNF-UHFFFAOYSA-N
XLogP2.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide (CID 75437734) is 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide is CCN(CCc1nccs1)S(=O)(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is OGMUBMCJSJNBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2S2/c1-2-18(8-6-14-17-7-9-21-14)22(19,20)10-11-12(15)4-3-5-13(11)16/h3-5,7,9H,2,6,8,10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 346.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 75437734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).