1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide

C13H15FN2O2S2 — CID 110716088

IUPAC1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCN(CCc1nccs1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S2/c1-16(8-6-13-15-7-9-19-13)20(17,18)10-11-2-4-12(14)5-3-11/h2-5,7,9H,6,8,10H2,1H3
InChIKeyOTXGKBWMBQNGLK-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.29
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 110716088) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
PubChem CID110716088
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
SMILESCN(CCc1nccs1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S2/c1-16(8-6-13-15-7-9-19-13)20(17,18)10-11-2-4-12(14)5-3-11/h2-5,7,9H,6,8,10H2,1H3
InChIKeyOTXGKBWMBQNGLK-UHFFFAOYSA-N
XLogP2.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide (CID 110716088) is 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide is CN(CCc1nccs1)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is OTXGKBWMBQNGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-16(8-6-13-15-7-9-19-13)20(17,18)10-11-2-4-12(14)5-3-11/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110716088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).