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

C10H14ClF3N2O2S2 — CID 61046507

IUPAC2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H14ClF3N2O2S2/c1-3-7(4-2)16(6-10(12,13)14)20(17,18)8-5-15-9(11)19-8/h5,7H,3-4,6H2,1-2H3
InChIKeyXNVAJCKXYRXQDB-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.54
Rot. Bonds6

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

2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61046507) has the molecular formula C10H14ClF3N2O2S2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61046507
Molecular FormulaC10H14ClF3N2O2S2
Molecular Weight350.82 g/mol
Exact Mass350.01
IUPAC Name2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H14ClF3N2O2S2/c1-3-7(4-2)16(6-10(12,13)14)20(17,18)8-5-15-9(11)19-8/h5,7H,3-4,6H2,1-2H3
InChIKeyXNVAJCKXYRXQDB-UHFFFAOYSA-N
XLogP3.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61046507) is 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-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)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XNVAJCKXYRXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N2O2S2/c1-3-7(4-2)16(6-10(12,13)14)20(17,18)8-5-15-9(11)19-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 350.82 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61046507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).