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

C11H11FN2O3S2 — CID 60712841

IUPACN-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H11FN2O3S2/c1-6-5-8(12)3-4-9(6)14-19(16,17)10-7(2)13-11(15)18-10/h3-5,14H,1-2H3,(H,13,15)
InChIKeyMGKOWGKMWCPONC-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.99
Rot. Bonds3

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

N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60712841) has the molecular formula C11H11FN2O3S2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60712841
Molecular FormulaC11H11FN2O3S2
Molecular Weight302.35 g/mol
Exact Mass302.02
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H11FN2O3S2/c1-6-5-8(12)3-4-9(6)14-19(16,17)10-7(2)13-11(15)18-10/h3-5,14H,1-2H3,(H,13,15)
InChIKeyMGKOWGKMWCPONC-UHFFFAOYSA-N
XLogP1.99
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 6465056
N-(3-fluoro-2-methylphenyl)methanesulfonamide
CID 1506539
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 40138955
N-(5-fluoro-2-methylphenyl)methanesulfonamide
CID 6466945
5-Fluoro-2-(methanesulfonamido)benzenecarbothioamide
CID 17821702
2-(Ethylsulfonylamino)-5-fluorobenzenecarbothioamide
CID 17888474
N-(4-fluoro-2-methylphenyl)methanesulfonamide
CID 22203193
N-(4-fluoro-2-methylphenyl)ethanesulfonamide
CID 22203194
N-(4-fluoro-2-methylphenyl)propane-2-sulfonamide
CID 62998364
5,5-Dimethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]thiazolidin-2-one
CID 69241052
N-(fluoromethylsulfanylsulfamoyl)-2-methylaniline
CID 88311432
N-(2-ethyl-5-fluorophenyl)methanesulfonamide
CID 118913293

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60712841) is N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MGKOWGKMWCPONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S2/c1-6-5-8(12)3-4-9(6)14-19(16,17)10-7(2)13-11(15)18-10/h3-5,14H,1-2H3,(H,13,15).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 302.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60712841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).