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

C11H14N2O4S — CID 110713222

IUPACN-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c1NC(=O)CO2
InChIInChI=1S/C11H14N2O4S/c1-2-6-18(15,16)13-8-4-3-5-9-11(8)12-10(14)7-17-9/h3-5,13H,2,6-7H2,1H3,(H,12,14)
InChIKeyIJMOBDNCGJOCOC-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.17
Rot. Bonds4

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

N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide (PubChem CID 110713222) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
PubChem CID110713222
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc2c1NC(=O)CO2
InChIInChI=1S/C11H14N2O4S/c1-2-6-18(15,16)13-8-4-3-5-9-11(8)12-10(14)7-17-9/h3-5,13H,2,6-7H2,1H3,(H,12,14)
InChIKeyIJMOBDNCGJOCOC-UHFFFAOYSA-N
XLogP1.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide (CID 110713222) is N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc2c1NC(=O)CO2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
The InChIKey is IJMOBDNCGJOCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-6-18(15,16)13-8-4-3-5-9-11(8)12-10(14)7-17-9/h3-5,13H,2,6-7H2,1H3,(H,12,14).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide?
N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 110713222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).