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

C11H12F2N2O3S — CID 53017340

IUPAC3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCC1=NOC(CNS(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H12F2N2O3S/c1-7-4-8(18-15-7)6-14-19(16,17)9-2-3-10(12)11(13)5-9/h2-3,5,8,14H,4,6H2,1H3
InChIKeyQQAWRDSGTZFYFE-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.41
Rot. Bonds4

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

3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 53017340) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID53017340
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCC1=NOC(CNS(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C11H12F2N2O3S/c1-7-4-8(18-15-7)6-14-19(16,17)9-2-3-10(12)11(13)5-9/h2-3,5,8,14H,4,6H2,1H3
InChIKeyQQAWRDSGTZFYFE-UHFFFAOYSA-N
XLogP1.41
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 53017340) is 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide is CC1=NOC(CNS(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is QQAWRDSGTZFYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c1-7-4-8(18-15-7)6-14-19(16,17)9-2-3-10(12)11(13)5-9/h2-3,5,8,14H,4,6H2,1H3.
What are the key properties of 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 290.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53017340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).