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

C10H12ClF3N2O2S2 — CID 61042564

IUPAC2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H12ClF3N2O2S2/c1-6(7-2-3-7)16(5-10(12,13)14)20(17,18)8-4-15-9(11)19-8/h4,6-7H,2-3,5H2,1H3
InChIKeySDHPIAYEVKOVLA-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.15
Rot. Bonds5

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

2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61042564) has the molecular formula C10H12ClF3N2O2S2 and a molecular weight of 348.80 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61042564
Molecular FormulaC10H12ClF3N2O2S2
Molecular Weight348.80 g/mol
Exact Mass348.00
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H12ClF3N2O2S2/c1-6(7-2-3-7)16(5-10(12,13)14)20(17,18)8-4-15-9(11)19-8/h4,6-7H,2-3,5H2,1H3
InChIKeySDHPIAYEVKOVLA-UHFFFAOYSA-N
XLogP3.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61042564) is 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is SDHPIAYEVKOVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S2/c1-6(7-2-3-7)16(5-10(12,13)14)20(17,18)8-4-15-9(11)19-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 348.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).