N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide

C13H15FN2O2S2 — CID 176509340

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1nccs1
InChIInChI=1S/C13H15FN2O2S2/c1-3-16(20(17,18)13-15-8-9-19-13)10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3
InChIKeyJYGMAJZQWYFHKS-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.05
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide (PubChem CID 176509340) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide
PubChem CID176509340
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1nccs1
InChIInChI=1S/C13H15FN2O2S2/c1-3-16(20(17,18)13-15-8-9-19-13)10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3
InChIKeyJYGMAJZQWYFHKS-UHFFFAOYSA-N
XLogP3.05
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide (CID 176509340) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1nccs1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide?
The InChIKey is JYGMAJZQWYFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-3-16(20(17,18)13-15-8-9-19-13)10(2)11-4-6-12(14)7-5-11/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 176509340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).