N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide

C12H12F2N2O3S — CID 56795225

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H12F2N2O3S/c1-16(7-9-2-3-10(13)6-12(9)14)20(17,18)8-11-4-5-19-15-11/h2-6H,7-8H2,1H3
InChIKeyQSLHBXYBYVQEFC-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.91
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 56795225) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID56795225
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C12H12F2N2O3S/c1-16(7-9-2-3-10(13)6-12(9)14)20(17,18)8-11-4-5-19-15-11/h2-6H,7-8H2,1H3
InChIKeyQSLHBXYBYVQEFC-UHFFFAOYSA-N
XLogP1.91
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 56795225) is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide is CN(Cc1ccc(F)cc1F)S(=O)(=O)Cc1ccon1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is QSLHBXYBYVQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-16(7-9-2-3-10(13)6-12(9)14)20(17,18)8-11-4-5-19-15-11/h2-6H,7-8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 56795225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).