4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide

C14H16F3N3O2S2 — CID 133343566

IUPAC4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1nc(CCNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H16F3N3O2S2/c1-2-13-20-10(8-23-13)5-6-19-9-3-4-12(24(18,21)22)11(7-9)14(15,16)17/h3-4,7-8,19H,2,5-6H2,1H3,(H2,18,21,22)
InChIKeyZKRQOYOSYSHVJI-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.03
Rot. Bonds6

About 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133343566) has the molecular formula C14H16F3N3O2S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133343566
Molecular FormulaC14H16F3N3O2S2
Molecular Weight379.43 g/mol
Exact Mass379.06
IUPAC Name4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1nc(CCNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H16F3N3O2S2/c1-2-13-20-10(8-23-13)5-6-19-9-3-4-12(24(18,21)22)11(7-9)14(15,16)17/h3-4,7-8,19H,2,5-6H2,1H3,(H2,18,21,22)
InChIKeyZKRQOYOSYSHVJI-UHFFFAOYSA-N
XLogP3.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133343566) is 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide is CCc1nc(CCNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)cs1.
What is the InChIKey of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZKRQOYOSYSHVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S2/c1-2-13-20-10(8-23-13)5-6-19-9-3-4-12(24(18,21)22)11(7-9)14(15,16)17/h3-4,7-8,19H,2,5-6H2,1H3,(H2,18,21,22).
What are the key properties of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133343566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).