N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide

C12H11FN2O3S2 — CID 62999070

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C12H11FN2O3S2/c1-7-5-9(13)3-4-11(7)20(17,18)15-12-14-10(6-19-12)8(2)16/h3-6H,1-2H3,(H,14,15)
InChIKeyUJFXSLAHYOWNTE-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.59
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 62999070) has the molecular formula C12H11FN2O3S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID62999070
Molecular FormulaC12H11FN2O3S2
Molecular Weight314.36 g/mol
Exact Mass314.02
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C12H11FN2O3S2/c1-7-5-9(13)3-4-11(7)20(17,18)15-12-14-10(6-19-12)8(2)16/h3-6H,1-2H3,(H,14,15)
InChIKeyUJFXSLAHYOWNTE-UHFFFAOYSA-N
XLogP2.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
N-(4-acetyl-1,3-thiazol-2-yl)-5-amino-4-bromo-2-methylbenzenesulfonamide
CID 114625789
4-fluoro-N-[4-(3-hydroxypentyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87756750
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
CID 63000153
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
CID 64557052
4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 64558473
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 62999070) is N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide is CC(=O)c1csc(NS(=O)(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UJFXSLAHYOWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S2/c1-7-5-9(13)3-4-11(7)20(17,18)15-12-14-10(6-19-12)8(2)16/h3-6H,1-2H3,(H,14,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 62999070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).