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

C11H8FN3O3S2 — CID 60985038

IUPACN-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C11H8FN3O3S2/c1-6-10(19-11(16)14-6)20(17,18)15-9-4-2-3-8(12)7(9)5-13/h2-4,15H,1H3,(H,14,16)
InChIKeyOJVNLXAHIXUJRT-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.56
Rot. Bonds3

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

N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60985038) has the molecular formula C11H8FN3O3S2 and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60985038
Molecular FormulaC11H8FN3O3S2
Molecular Weight313.34 g/mol
Exact Mass313.00
IUPAC NameN-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C11H8FN3O3S2/c1-6-10(19-11(16)14-6)20(17,18)15-9-4-2-3-8(12)7(9)5-13/h2-4,15H,1H3,(H,14,16)
InChIKeyOJVNLXAHIXUJRT-UHFFFAOYSA-N
XLogP1.56
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60985038) is N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(F)c1C#N.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is OJVNLXAHIXUJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3S2/c1-6-10(19-11(16)14-6)20(17,18)15-9-4-2-3-8(12)7(9)5-13/h2-4,15H,1H3,(H,14,16).
What are the key properties of N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 313.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60985038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).