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

C13H15FN2O3S — CID 110660653

IUPAC4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C13H15FN2O3S/c1-9-7-11(14)3-4-12(9)20(17,18)16-6-5-13-15-8-10(2)19-13/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyNMCISFGMPMMVAQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.95
Rot. Bonds5

About 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110660653) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110660653
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C13H15FN2O3S/c1-9-7-11(14)3-4-12(9)20(17,18)16-6-5-13-15-8-10(2)19-13/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyNMCISFGMPMMVAQ-UHFFFAOYSA-N
XLogP1.95
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 110660653) is 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(CCNS(=O)(=O)c2ccc(F)cc2C)o1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NMCISFGMPMMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9-7-11(14)3-4-12(9)20(17,18)16-6-5-13-15-8-10(2)19-13/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110660653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).