4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide

C11H9F3N2O3S2 — CID 60712769

IUPAC4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O3S2/c1-6-9(20-10(17)15-6)21(18,19)16-8-4-2-3-7(5-8)11(12,13)14/h2-5,16H,1H3,(H,15,17)
InChIKeyRSKCCHUNGBYEHU-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.56
Rot. Bonds3

About 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60712769) has the molecular formula C11H9F3N2O3S2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide
PubChem CID60712769
Molecular FormulaC11H9F3N2O3S2
Molecular Weight338.33 g/mol
Exact Mass338.00
IUPAC Name4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O3S2/c1-6-9(20-10(17)15-6)21(18,19)16-8-4-2-3-7(5-8)11(12,13)14/h2-5,16H,1H3,(H,15,17)
InChIKeyRSKCCHUNGBYEHU-UHFFFAOYSA-N
XLogP2.56
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide (CID 60712769) is 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is RSKCCHUNGBYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S2/c1-6-9(20-10(17)15-6)21(18,19)16-8-4-2-3-7(5-8)11(12,13)14/h2-5,16H,1H3,(H,15,17).
What are the key properties of 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 338.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60712769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).