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

C13H15FN2O3S2 — CID 60724035

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCN(Cc1cccc(F)c1)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C13H15FN2O3S2/c1-3-16(8-10-5-4-6-11(14)7-10)21(18,19)12-9(2)15-13(17)20-12/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyOHPUMZYAYKNKFG-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.09
Rot. Bonds5

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

N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724035) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724035
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCN(Cc1cccc(F)c1)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C13H15FN2O3S2/c1-3-16(8-10-5-4-6-11(14)7-10)21(18,19)12-9(2)15-13(17)20-12/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyOHPUMZYAYKNKFG-UHFFFAOYSA-N
XLogP2.09
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60724035) is N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCN(Cc1cccc(F)c1)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is OHPUMZYAYKNKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-3-16(8-10-5-4-6-11(14)7-10)21(18,19)12-9(2)15-13(17)20-12/h4-7H,3,8H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).