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

C12H12F2N2O3S — CID 138018146

IUPAC4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H12F2N2O3S/c1-8-11(19-7-15-8)6-16-20(17,18)10-4-2-9(3-5-10)12(13)14/h2-5,7,12,16H,6H2,1H3
InChIKeyPPNOAPGHRBTSJU-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.40
Rot. Bonds5

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

4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 138018146) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID138018146
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H12F2N2O3S/c1-8-11(19-7-15-8)6-16-20(17,18)10-4-2-9(3-5-10)12(13)14/h2-5,7,12,16H,6H2,1H3
InChIKeyPPNOAPGHRBTSJU-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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Related Compounds

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-ethylbenzenesulfonamide
CID 126821570
2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018141
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-2,3-dihydro-1H-indene-2-sulfonamide
CID 138018171
5-Methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-oxazole
CID 149915025
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 47359076
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-methylbenzenesulfonamide
CID 53597960
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71969403
N-(2,5-difluoro-4-methylphenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 71969405
N-(2-fluoro-4-methylphenyl)sulfonyl-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 71985434
3-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106378240
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106378276
2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106378290

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 138018146) is 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1ncoc1CNS(=O)(=O)c1ccc(C(F)F)cc1.
What is the InChIKey of 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is PPNOAPGHRBTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-8-11(19-7-15-8)6-16-20(17,18)10-4-2-9(3-5-10)12(13)14/h2-5,7,12,16H,6H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
4-(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 4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 138018146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).