N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide

C12H16N2O4S — CID 110729691

IUPACN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C)cc2c1OCC(=O)N2
InChIInChI=1S/C12H16N2O4S/c1-3-4-19(16,17)14-10-6-8(2)5-9-12(10)18-7-11(15)13-9/h5-6,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyIBAQVWXZVTYQSZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.48
Rot. Bonds4

About N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide

N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide (PubChem CID 110729691) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
PubChem CID110729691
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(C)cc2c1OCC(=O)N2
InChIInChI=1S/C12H16N2O4S/c1-3-4-19(16,17)14-10-6-8(2)5-9-12(10)18-7-11(15)13-9/h5-6,14H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyIBAQVWXZVTYQSZ-UHFFFAOYSA-N
XLogP1.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110729696
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713222
N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide
CID 110778091
2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110729688
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
6-ethylsulfonyl-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-8-sulfonamide
CID 167344291
2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729632
8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
CID 110291818
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
CID 110744803
2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110291824

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide?
The IUPAC name of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide (CID 110729691) is N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide?
The canonical SMILES for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(C)cc2c1OCC(=O)N2.
What is the InChIKey of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide?
The InChIKey is IBAQVWXZVTYQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-4-19(16,17)14-10-6-8(2)5-9-12(10)18-7-11(15)13-9/h5-6,14H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide?
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide is sourced from PubChem (CID 110729691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).