N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C6H8F2N2O3S2 — CID 115408308

IUPACN-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C6H8F2N2O3S2/c1-3-5(14-6(11)10-3)15(12,13)9-2-4(7)8/h4,9H,2H2,1H3,(H,10,11)
InChIKeyIJXBXWVCUXNUPH-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.29
Rot. Bonds4

About N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 115408308) has the molecular formula C6H8F2N2O3S2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID115408308
Molecular FormulaC6H8F2N2O3S2
Molecular Weight258.27 g/mol
Exact Mass257.99
IUPAC NameN-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C6H8F2N2O3S2/c1-3-5(14-6(11)10-3)15(12,13)9-2-4(7)8/h4,9H,2H2,1H3,(H,10,11)
InChIKeyIJXBXWVCUXNUPH-UHFFFAOYSA-N
XLogP0.29
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 115408308) is N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is IJXBXWVCUXNUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O3S2/c1-3-5(14-6(11)10-3)15(12,13)9-2-4(7)8/h4,9H,2H2,1H3,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 258.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 115408308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).