2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C12H10FN3O3S — CID 75387252

IUPAC2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cccc(F)c2C#N)o1
InChIInChI=1S/C12H10FN3O3S/c1-8-6-15-12(19-8)7-16-20(17,18)11-4-2-3-10(13)9(11)5-14/h2-4,6,16H,7H2,1H3
InChIKeyGTYTZKCMXPEFRR-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.47
Rot. Bonds4

About 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 75387252) has the molecular formula C12H10FN3O3S and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID75387252
Molecular FormulaC12H10FN3O3S
Molecular Weight295.30 g/mol
Exact Mass295.04
IUPAC Name2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cccc(F)c2C#N)o1
InChIInChI=1S/C12H10FN3O3S/c1-8-6-15-12(19-8)7-16-20(17,18)11-4-2-3-10(13)9(11)5-14/h2-4,6,16H,7H2,1H3
InChIKeyGTYTZKCMXPEFRR-UHFFFAOYSA-N
XLogP1.47
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 75387252) is 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cccc(F)c2C#N)o1.
What is the InChIKey of 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is GTYTZKCMXPEFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3S/c1-8-6-15-12(19-8)7-16-20(17,18)11-4-2-3-10(13)9(11)5-14/h2-4,6,16H,7H2,1H3.
What are the key properties of 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 295.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75387252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).