2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide

C9H12ClF3N2O2S2 — CID 115486666

IUPAC2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H12ClF3N2O2S2/c1-6-7(18-8(10)15-6)19(16,17)14-5-3-2-4-9(11,12)13/h14H,2-5H2,1H3
InChIKeyGMMJQYFUAUPWAB-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.12
Rot. Bonds6

About 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide (PubChem CID 115486666) has the molecular formula C9H12ClF3N2O2S2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
PubChem CID115486666
Molecular FormulaC9H12ClF3N2O2S2
Molecular Weight336.79 g/mol
Exact Mass336.00
IUPAC Name2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H12ClF3N2O2S2/c1-6-7(18-8(10)15-6)19(16,17)14-5-3-2-4-9(11,12)13/h14H,2-5H2,1H3
InChIKeyGMMJQYFUAUPWAB-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide (CID 115486666) is 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is GMMJQYFUAUPWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2O2S2/c1-6-7(18-8(10)15-6)19(16,17)14-5-3-2-4-9(11,12)13/h14H,2-5H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 336.79 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 115486666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).