2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C11H16ClF3N2O2S2 — CID 61046694

IUPAC2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H16ClF3N2O2S2/c1-4-8(5-2)17(6-11(13,14)15)21(18,19)9-7(3)16-10(12)20-9/h8H,4-6H2,1-3H3
InChIKeyVFVBLHPFYZOHNZ-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.85
Rot. Bonds6

About 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61046694) has the molecular formula C11H16ClF3N2O2S2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61046694
Molecular FormulaC11H16ClF3N2O2S2
Molecular Weight364.84 g/mol
Exact Mass364.03
IUPAC Name2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H16ClF3N2O2S2/c1-4-8(5-2)17(6-11(13,14)15)21(18,19)9-7(3)16-10(12)20-9/h8H,4-6H2,1-3H3
InChIKeyVFVBLHPFYZOHNZ-UHFFFAOYSA-N
XLogP3.85
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61046694) is 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VFVBLHPFYZOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N2O2S2/c1-4-8(5-2)17(6-11(13,14)15)21(18,19)9-7(3)16-10(12)20-9/h8H,4-6H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 364.84 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61046694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).