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

C12H12F2N2O3S — CID 86825338

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(F)cc2F)oc1C
InChIInChI=1S/C12H12F2N2O3S/c1-7-8(2)19-12(16-7)6-15-20(17,18)11-4-3-9(13)5-10(11)14/h3-5,15H,6H2,1-2H3
InChIKeyAIKSJBLJPGMISW-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.05
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide (PubChem CID 86825338) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
PubChem CID86825338
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(F)cc2F)oc1C
InChIInChI=1S/C12H12F2N2O3S/c1-7-8(2)19-12(16-7)6-15-20(17,18)11-4-3-9(13)5-10(11)14/h3-5,15H,6H2,1-2H3
InChIKeyAIKSJBLJPGMISW-UHFFFAOYSA-N
XLogP2.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide (CID 86825338) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(F)cc2F)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is AIKSJBLJPGMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-7-8(2)19-12(16-7)6-15-20(17,18)11-4-3-9(13)5-10(11)14/h3-5,15H,6H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 86825338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).