2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C8H8ClF3N2O2S2 — CID 55010851

IUPAC2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)s1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H8ClF3N2O2S2/c9-7-13-3-6(17-7)18(15,16)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2
InChIKeyQRAQSTZAJZDOGN-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 55010851) has the molecular formula C8H8ClF3N2O2S2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID55010851
Molecular FormulaC8H8ClF3N2O2S2
Molecular Weight320.75 g/mol
Exact Mass319.97
IUPAC Name2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)s1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H8ClF3N2O2S2/c9-7-13-3-6(17-7)18(15,16)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2
InChIKeyQRAQSTZAJZDOGN-UHFFFAOYSA-N
XLogP2.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 55010851) is 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(c1cnc(Cl)s1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is QRAQSTZAJZDOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2S2/c9-7-13-3-6(17-7)18(15,16)14(5-1-2-5)4-8(10,11)12/h3,5H,1-2,4H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 320.75 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55010851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).