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

C12H12F2N2O3S — CID 91648790

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(F)cc2F)o1
InChIInChI=1S/C12H12F2N2O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(13)5-10(11)14/h3-6,16H,2,7H2,1H3
InChIKeyUYZCITAAKHMOGH-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.99
Rot. Bonds5

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide (PubChem CID 91648790) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
PubChem CID91648790
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(F)cc2F)o1
InChIInChI=1S/C12H12F2N2O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(13)5-10(11)14/h3-6,16H,2,7H2,1H3
InChIKeyUYZCITAAKHMOGH-UHFFFAOYSA-N
XLogP1.99
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide (CID 91648790) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2ccc(F)cc2F)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is UYZCITAAKHMOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(13)5-10(11)14/h3-6,16H,2,7H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 91648790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).