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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713348
4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713237
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
CID 110729691
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)butanamide
CID 110713199
(3-oxo-4H-1,4-benzoxazin-5-yl)methanesulfonyl chloride
CID 117408994
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid
CID 166211679
N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide
CID 110778091
5-fluoro-4H-1,4-benzoxazin-3-one
CID 54758768
1-benzyl-3-(3-oxo-4H-1,4-benzoxazin-5-yl)urea
CID 110747359
4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 110713165
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
CID 110699795

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).