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

C7H8ClF3N2O2S2 — CID 63226797

IUPAC2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H8ClF3N2O2S2/c1-4-5(16-6(8)13-4)17(14,15)12-3-2-7(9,10)11/h12H,2-3H2,1H3
InChIKeyISIJPFXUPQPLKR-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.34
Rot. Bonds4

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

2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63226797) has the molecular formula C7H8ClF3N2O2S2 and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
PubChem CID63226797
Molecular FormulaC7H8ClF3N2O2S2
Molecular Weight308.73 g/mol
Exact Mass307.97
IUPAC Name2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H8ClF3N2O2S2/c1-4-5(16-6(8)13-4)17(14,15)12-3-2-7(9,10)11/h12H,2-3H2,1H3
InChIKeyISIJPFXUPQPLKR-UHFFFAOYSA-N
XLogP2.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide (CID 63226797) is 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is ISIJPFXUPQPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O2S2/c1-4-5(16-6(8)13-4)17(14,15)12-3-2-7(9,10)11/h12H,2-3H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 308.73 g/mol, XLogP of 2.34, 4 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-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63226797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).