(7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide

C9H10N2O3S — CID 12507011

IUPAC(7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCc1cccc2c(CS(N)(=O)=O)noc12
InChIInChI=1S/C9H10N2O3S/c1-6-3-2-4-7-8(5-15(10,12)13)11-14-9(6)7/h2-4H,5H2,1H3,(H2,10,12,13)
InChIKeyRILKHRRRBHYFSU-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.92
Rot. Bonds2

About (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide

(7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide (PubChem CID 12507011) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide
PubChem CID12507011
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name(7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCc1cccc2c(CS(N)(=O)=O)noc12
InChIInChI=1S/C9H10N2O3S/c1-6-3-2-4-7-8(5-15(10,12)13)11-14-9(6)7/h2-4H,5H2,1H3,(H2,10,12,13)
InChIKeyRILKHRRRBHYFSU-UHFFFAOYSA-N
XLogP0.92
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-methyl-1,2-benzoxazol-3-yl)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 (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
The IUPAC name of (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide (CID 12507011) is (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide.
What is the SMILES notation for (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
The canonical SMILES for (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide is Cc1cccc2c(CS(N)(=O)=O)noc12.
What is the InChIKey of (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
The InChIKey is RILKHRRRBHYFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-6-3-2-4-7-8(5-15(10,12)13)11-14-9(6)7/h2-4H,5H2,1H3,(H2,10,12,13).
What are the key properties of (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
(7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide has a molecular weight of 226.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1,2-benzoxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 12507011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).