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

C12H12F2N2O3S2 — CID 60723898

IUPACN-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O3S2/c1-6(9-4-3-8(13)5-10(9)14)16-21(18,19)11-7(2)15-12(17)20-11/h3-6,16H,1-2H3,(H,15,17)
InChIKeyLBIQIVFWUOOLNY-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.06
Rot. Bonds4

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

N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60723898) has the molecular formula C12H12F2N2O3S2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60723898
Molecular FormulaC12H12F2N2O3S2
Molecular Weight334.37 g/mol
Exact Mass334.03
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O3S2/c1-6(9-4-3-8(13)5-10(9)14)16-21(18,19)11-7(2)15-12(17)20-11/h3-6,16H,1-2H3,(H,15,17)
InChIKeyLBIQIVFWUOOLNY-UHFFFAOYSA-N
XLogP2.06
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138955
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138953
N-[(3-fluoro-4-methylphenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138968
N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 42939515
N-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884371
N-(3-fluoro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712692
N-(2-fluoro-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712707
4-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3H-1,3-thiazole-5-sulfonamide
CID 60712769
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712771
N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712841
N-(5-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712852
N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60715980

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60723898) is N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is LBIQIVFWUOOLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S2/c1-6(9-4-3-8(13)5-10(9)14)16-21(18,19)11-7(2)15-12(17)20-11/h3-6,16H,1-2H3,(H,15,17).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60723898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).