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

C9H10N2O3S — CID 12507007

IUPAC(5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCc1ccc2onc(CS(N)(=O)=O)c2c1
InChIInChI=1S/C9H10N2O3S/c1-6-2-3-9-7(4-6)8(11-14-9)5-15(10,12)13/h2-4H,5H2,1H3,(H2,10,12,13)
InChIKeyYTCRQUMLHUCZMA-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.92
Rot. Bonds2

About (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide

(5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide (PubChem CID 12507007) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name(5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide
PubChem CID12507007
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name(5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCc1ccc2onc(CS(N)(=O)=O)c2c1
InChIInChI=1S/C9H10N2O3S/c1-6-2-3-9-7(4-6)8(11-14-9)5-15(10,12)13/h2-4H,5H2,1H3,(H2,10,12,13)
InChIKeyYTCRQUMLHUCZMA-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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
The IUPAC name of (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide (CID 12507007) is (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide.
What is the SMILES notation for (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
The canonical SMILES for (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide is Cc1ccc2onc(CS(N)(=O)=O)c2c1.
What is the InChIKey of (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
The InChIKey is YTCRQUMLHUCZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-6-2-3-9-7(4-6)8(11-14-9)5-15(10,12)13/h2-4H,5H2,1H3,(H2,10,12,13).
What are the key properties of (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide?
(5-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 (5-methyl-1,2-benzoxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 12507007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).