1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide

C10H12N2O4S — CID 12506982

IUPAC1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCCO
InChIInChI=1S/C10H12N2O4S/c13-6-5-11-17(14,15)7-9-8-3-1-2-4-10(8)16-12-9/h1-4,11,13H,5-7H2
InChIKeyQACLNOUNAHFREO-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.24
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 12506982) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID12506982
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCCO
InChIInChI=1S/C10H12N2O4S/c13-6-5-11-17(14,15)7-9-8-3-1-2-4-10(8)16-12-9/h1-4,11,13H,5-7H2
InChIKeyQACLNOUNAHFREO-UHFFFAOYSA-N
XLogP0.24
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide 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-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide (CID 12506982) is 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCCO.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is QACLNOUNAHFREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-6-5-11-17(14,15)7-9-8-3-1-2-4-10(8)16-12-9/h1-4,11,13H,5-7H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 12506982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).