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

C8H8N2O4S — CID 615071

IUPAC3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C8H8N2O4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)(H2,9,12,13)
InChIKeyZJICVKGJCQIJRK-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.34
Rot. Bonds1

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

3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 615071) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID615071
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C8H8N2O4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)(H2,9,12,13)
InChIKeyZJICVKGJCQIJRK-UHFFFAOYSA-N
XLogP-0.34
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2H-1,4-benzoxazin-3(4H)-one
CID 72757
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
N-[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71455430
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 615071) is 3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 3-oxo-4H-1,4-benzoxazine-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is ZJICVKGJCQIJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)(H2,9,12,13).
What are the key properties of 3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 228.23 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 615071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).