N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide

C12H16N2O4S — CID 110713348

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c1N(C)C(=O)CO2
InChIInChI=1S/C12H16N2O4S/c1-3-7-19(16,17)13-9-5-4-6-10-12(9)14(2)11(15)8-18-10/h4-6,13H,3,7-8H2,1-2H3
InChIKeyIOFHCOWESOGHEC-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.19
Rot. Bonds4

About N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide

N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide (PubChem CID 110713348) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide
PubChem CID110713348
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c1N(C)C(=O)CO2
InChIInChI=1S/C12H16N2O4S/c1-3-7-19(16,17)13-9-5-4-6-10-12(9)14(2)11(15)8-18-10/h4-6,13H,3,7-8H2,1-2H3
InChIKeyIOFHCOWESOGHEC-UHFFFAOYSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide (CID 110713348) is N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc2c1N(C)C(=O)CO2.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
The InChIKey is IOFHCOWESOGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-7-19(16,17)13-9-5-4-6-10-12(9)14(2)11(15)8-18-10/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 110713348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).