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

C12H13FN2O3S — CID 138018164

IUPAC3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1cccc(F)c1C
InChIInChI=1S/C12H13FN2O3S/c1-8-10(13)4-3-5-12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyVSGDUOCLTJJKRQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.91
Rot. Bonds4

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

3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 138018164) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID138018164
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ncoc1CNS(=O)(=O)c1cccc(F)c1C
InChIInChI=1S/C12H13FN2O3S/c1-8-10(13)4-3-5-12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyVSGDUOCLTJJKRQ-UHFFFAOYSA-N
XLogP1.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 138018164) is 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1ncoc1CNS(=O)(=O)c1cccc(F)c1C.
What is the InChIKey of 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is VSGDUOCLTJJKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8-10(13)4-3-5-12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 138018164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).