N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide

C11H8F2N2O3S2 — CID 62998699

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C11H8F2N2O3S2/c1-6(16)9-5-19-11(14-9)15-20(17,18)10-4-7(12)2-3-8(10)13/h2-5H,1H3,(H,14,15)
InChIKeyGZSWKYODFAPRDA-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.42
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 62998699) has the molecular formula C11H8F2N2O3S2 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
PubChem CID62998699
Molecular FormulaC11H8F2N2O3S2
Molecular Weight318.33 g/mol
Exact Mass317.99
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C11H8F2N2O3S2/c1-6(16)9-5-19-11(14-9)15-20(17,18)10-4-7(12)2-3-8(10)13/h2-5H,1H3,(H,14,15)
InChIKeyGZSWKYODFAPRDA-UHFFFAOYSA-N
XLogP2.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
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
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
4-[(4-acetyl-1,3-thiazol-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 64558473
N-(4-acetyl-1,3-thiazol-2-yl)-5-amino-4-bromo-2-methylbenzenesulfonamide
CID 114625789
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)-1-methylsulfonylmethanesulfonamide
CID 82842542
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55435187

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide (CID 62998699) is N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide is CC(=O)c1csc(NS(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is GZSWKYODFAPRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3S2/c1-6(16)9-5-19-11(14-9)15-20(17,18)10-4-7(12)2-3-8(10)13/h2-5H,1H3,(H,14,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 318.33 g/mol, XLogP of 2.42, 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)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 62998699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).