2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide

C14H15FN2O3S2 — CID 56804847

IUPAC2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(F)c(C(=O)/N=c2/sccn2C)c1
InChIInChI=1S/C14H15FN2O3S2/c1-9(2)22(19,20)10-4-5-12(15)11(8-10)13(18)16-14-17(3)6-7-21-14/h4-9H,1-3H3/b16-14+
InChIKeyQZINAYQZMJEXNC-JQIJEIRASA-N
MW342.42 g/mol
LogP2.15
Rot. Bonds3

About 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide

2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide (PubChem CID 56804847) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide
PubChem CID56804847
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC Name2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(F)c(C(=O)/N=c2/sccn2C)c1
InChIInChI=1S/C14H15FN2O3S2/c1-9(2)22(19,20)10-4-5-12(15)11(8-10)13(18)16-14-17(3)6-7-21-14/h4-9H,1-3H3/b16-14+
InChIKeyQZINAYQZMJEXNC-JQIJEIRASA-N
XLogP2.15
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide (CID 56804847) is 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(F)c(C(=O)/N=c2/sccn2C)c1.
What is the InChIKey of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide?
The InChIKey is QZINAYQZMJEXNC-JQIJEIRASA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-9(2)22(19,20)10-4-5-12(15)11(8-10)13(18)16-14-17(3)6-7-21-14/h4-9H,1-3H3/b16-14+.
What are the key properties of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide?
2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 56804847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).