2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C11H12N2O3S — CID 79477364

IUPAC2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C11H12N2O3S/c1-9-4-2-3-5-11(9)17(14,15)12-8-10-6-7-16-13-10/h2-7,12H,8H2,1H3
InChIKeyAHEJUHCSEIFIEV-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 79477364) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID79477364
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C11H12N2O3S/c1-9-4-2-3-5-11(9)17(14,15)12-8-10-6-7-16-13-10/h2-7,12H,8H2,1H3
InChIKeyAHEJUHCSEIFIEV-UHFFFAOYSA-N
XLogP1.46
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 79477364) is 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1ccon1.
What is the InChIKey of 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is AHEJUHCSEIFIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-9-4-2-3-5-11(9)17(14,15)12-8-10-6-7-16-13-10/h2-7,12H,8H2,1H3.
What are the key properties of 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79477364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).