N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide

C13H13FN2O5S3 — CID 154749734

IUPACN-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H13FN2O5S3/c1-9-15-8-12(22-9)13(17)16-24(20,21)7-6-23(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyLJIRXWJEDRNQSD-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 154749734) has the molecular formula C13H13FN2O5S3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID154749734
Molecular FormulaC13H13FN2O5S3
Molecular Weight392.46 g/mol
Exact Mass392.00
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H13FN2O5S3/c1-9-15-8-12(22-9)13(17)16-24(20,21)7-6-23(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyLJIRXWJEDRNQSD-UHFFFAOYSA-N
XLogP1.12
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazole-5-carboxamide
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methyl 4-[[2-(4-fluorophenyl)sulfonylethylsulfonylamino]methyl]benzoate
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N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 146124157
3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane
CID 140697839
1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
CID 64716694
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CID 110852278
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
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1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 5225625

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 154749734) is N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LJIRXWJEDRNQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O5S3/c1-9-15-8-12(22-9)13(17)16-24(20,21)7-6-23(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethylsulfonyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154749734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).