3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

C12H12F2N2O3S — CID 138018149

IUPAC3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H12F2N2O3S/c1-8-11(19-7-15-8)6-16-20(17,18)10-4-2-3-9(5-10)12(13)14/h2-5,7,12,16H,6H2,1H3
InChIKeyPDSFTKUUTBHASX-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.40
Rot. Bonds5

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

3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 138018149) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID138018149
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H12F2N2O3S/c1-8-11(19-7-15-8)6-16-20(17,18)10-4-2-3-9(5-10)12(13)14/h2-5,7,12,16H,6H2,1H3
InChIKeyPDSFTKUUTBHASX-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 138018149) is 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1ncoc1CNS(=O)(=O)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is PDSFTKUUTBHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-8-11(19-7-15-8)6-16-20(17,18)10-4-2-3-9(5-10)12(13)14/h2-5,7,12,16H,6H2,1H3.
What are the key properties of 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 138018149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).