N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

C16H14N2O4S — CID 15541217

IUPACN-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c1-2-18(23(20,21)12-8-4-3-5-9-12)16-17-14-11-7-6-10-13(14)15(19)22-16/h3-11H,2H2,1H3
InChIKeyYAYWVTXWLMZFEY-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.40
Rot. Bonds4

About N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541217) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541217
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O4S/c1-2-18(23(20,21)12-8-4-3-5-9-12)16-17-14-11-7-6-10-13(14)15(19)22-16/h3-11H,2H2,1H3
InChIKeyYAYWVTXWLMZFEY-UHFFFAOYSA-N
XLogP2.40
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541217) is N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is YAYWVTXWLMZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-2-18(23(20,21)12-8-4-3-5-9-12)16-17-14-11-7-6-10-13(14)15(19)22-16/h3-11H,2H2,1H3.
What are the key properties of N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).