1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one

C14H15N3O4S — CID 139204590

IUPAC1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1.NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C8H8N2O3S.C6H7NO/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;1-5-2-3-6(8)7-4-5/h1-4H,5H2,(H2,9,11,12);2-4H,1H3,(H,7,8)
InChIKeyVHGKWJGSTVKKBR-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.30
Rot. Bonds2

About 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one

1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one (PubChem CID 139204590) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one
PubChem CID139204590
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1.NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C8H8N2O3S.C6H7NO/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;1-5-2-3-6(8)7-4-5/h1-4H,5H2,(H2,9,11,12);2-4H,1H3,(H,7,8)
InChIKeyVHGKWJGSTVKKBR-UHFFFAOYSA-N
XLogP1.30
TPSA119.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one?
The IUPAC name of 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one (CID 139204590) is 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one?
The canonical SMILES for 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one is Cc1ccc(=O)[nH]c1.NS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one?
The InChIKey is VHGKWJGSTVKKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S.C6H7NO/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;1-5-2-3-6(8)7-4-5/h1-4H,5H2,(H2,9,11,12);2-4H,1H3,(H,7,8).
What are the key properties of 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one?
1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one has a molecular weight of 321.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazol-3-ylmethanesulfonamide;5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 139204590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).