2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

C16H16N2O6S — CID 110291824

IUPAC2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c1
InChIInChI=1S/C16H16N2O6S/c1-22-10-6-7-13(23-2)14(8-10)25(20,21)18-12-5-3-4-11-16(12)24-9-15(19)17-11/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyDKIMMTGPWAYRMC-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.84
Rot. Bonds5

About 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (PubChem CID 110291824) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
PubChem CID110291824
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c1
InChIInChI=1S/C16H16N2O6S/c1-22-10-6-7-13(23-2)14(8-10)25(20,21)18-12-5-3-4-11-16(12)24-9-15(19)17-11/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyDKIMMTGPWAYRMC-UHFFFAOYSA-N
XLogP1.84
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (CID 110291824) is 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The InChIKey is DKIMMTGPWAYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-22-10-6-7-13(23-2)14(8-10)25(20,21)18-12-5-3-4-11-16(12)24-9-15(19)17-11/h3-8,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is sourced from PubChem (CID 110291824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).