N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide

C9H10N2O3S — CID 1472995

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide
SMILESCc1nc2ccc(NS(C)(=O)=O)cc2o1
InChIInChI=1S/C9H10N2O3S/c1-6-10-8-4-3-7(5-9(8)14-6)11-15(2,12)13/h3-5,11H,1-2H3
InChIKeyHEEUKDOWPWWLIV-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.51
Rot. Bonds2

About N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide

N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide (PubChem CID 1472995) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide
PubChem CID1472995
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide
SMILESCc1nc2ccc(NS(C)(=O)=O)cc2o1
InChIInChI=1S/C9H10N2O3S/c1-6-10-8-4-3-7(5-9(8)14-6)11-15(2,12)13/h3-5,11H,1-2H3
InChIKeyHEEUKDOWPWWLIV-UHFFFAOYSA-N
XLogP1.51
TPSA72.20 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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide (CID 1472995) is N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide is Cc1nc2ccc(NS(C)(=O)=O)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide?
The InChIKey is HEEUKDOWPWWLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-6-10-8-4-3-7(5-9(8)14-6)11-15(2,12)13/h3-5,11H,1-2H3.
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide?
N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide has a molecular weight of 226.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide is sourced from PubChem (CID 1472995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).