N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C10H12N2O4S — CID 15943400

IUPACN-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H12N2O4S/c1-2-11-17(14,15)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyOXJJSKOUFQJYIG-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.32
Rot. Bonds3

About N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 15943400) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID15943400
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC NameN-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H12N2O4S/c1-2-11-17(14,15)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKeyOXJJSKOUFQJYIG-UHFFFAOYSA-N
XLogP0.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43606655
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
N-(2-aminobutyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 63732434
N-(3-aminopropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43605776
N-(3-amino-2,2-difluoropropyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 114383964
3-oxo-N-[2-(4-propan-2-ylphenyl)ethyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 17482231
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55520811
4-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110738462
ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
CID 18270098
N-(4-butylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16620678
N-[1-(4-bromophenyl)propyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55533608
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzenesulfonamide
CID 110789961

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 15943400) is N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is OXJJSKOUFQJYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-2-11-17(14,15)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5,11H,2,6H2,1H3,(H,12,13).
What are the key properties of N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 15943400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).