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

C13H15FN2O2S2 — CID 7518635

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2O2S2/c1-2-20(17,18)15-8-7-12-9-19-13(16-12)10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3
InChIKeyPCFFSDJGFLYKOG-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.43
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide (PubChem CID 7518635) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
PubChem CID7518635
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN2O2S2/c1-2-20(17,18)15-8-7-12-9-19-13(16-12)10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3
InChIKeyPCFFSDJGFLYKOG-UHFFFAOYSA-N
XLogP2.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide (CID 7518635) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
The InChIKey is PCFFSDJGFLYKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-2-20(17,18)15-8-7-12-9-19-13(16-12)10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 7518635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).