2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

C13H14FN3O3S2 — CID 31288583

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCN(CC(=O)/N=c1\sccn1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O3S2/c1-16-7-8-21-13(16)15-12(18)9-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-8H,9H2,1-2H3/b15-13-
InChIKeyDAQYQSOLWNSNKP-SQFISAMPSA-N
MW343.41 g/mol
LogP0.97
Rot. Bonds4

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 31288583) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID31288583
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCN(CC(=O)/N=c1\sccn1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O3S2/c1-16-7-8-21-13(16)15-12(18)9-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-8H,9H2,1-2H3/b15-13-
InChIKeyDAQYQSOLWNSNKP-SQFISAMPSA-N
XLogP0.97
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 31288583) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is CN(CC(=O)/N=c1\sccn1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is DAQYQSOLWNSNKP-SQFISAMPSA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c1-16-7-8-21-13(16)15-12(18)9-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-8H,9H2,1-2H3/b15-13-.
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 343.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 31288583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).