1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide

C15H14N2O3S — CID 12506983

IUPAC1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-21(19,16-10-12-6-2-1-3-7-12)11-14-13-8-4-5-9-15(13)20-17-14/h1-9,16H,10-11H2
InChIKeyQACZFGFXIYRXHR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.45
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide (PubChem CID 12506983) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide
PubChem CID12506983
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-21(19,16-10-12-6-2-1-3-7-12)11-14-13-8-4-5-9-15(13)20-17-14/h1-9,16H,10-11H2
InChIKeyQACZFGFXIYRXHR-UHFFFAOYSA-N
XLogP2.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide (CID 12506983) is 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCc1ccccc1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide?
The InChIKey is QACZFGFXIYRXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-21(19,16-10-12-6-2-1-3-7-12)11-14-13-8-4-5-9-15(13)20-17-14/h1-9,16H,10-11H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-benzylmethanesulfonamide is sourced from PubChem (CID 12506983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).