N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C12H16N2O4S — CID 82355179

IUPACN,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(CC)O2
InChIInChI=1S/C12H16N2O4S/c1-3-10-12(15)14-9-7-8(5-6-11(9)18-10)19(16,17)13-4-2/h5-7,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyIDEMEKHPAKDFPF-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.09
Rot. Bonds4

About N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355179) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID82355179
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(CC)O2
InChIInChI=1S/C12H16N2O4S/c1-3-10-12(15)14-9-7-8(5-6-11(9)18-10)19(16,17)13-4-2/h5-7,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyIDEMEKHPAKDFPF-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355158
N-ethyl-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 82355180
4,5-dichloro-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,2-thiazole-3-carboxamide
CID 132766939
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide
CID 132765285
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-2-(2-methoxyphenyl)acetamide
CID 132766155
(2R)-2-butyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride
CID 129418539
1-acetyl-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 132765953
2-ethyl-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82177336
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 132766229
(2R)-6-ethylsulfonyl-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 7062055
3-(1,3-dimethylpyrazol-4-yl)-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 132766200

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 82355179) is N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(CC)O2.
What is the InChIKey of N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is IDEMEKHPAKDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-10-12(15)14-9-7-8(5-6-11(9)18-10)19(16,17)13-4-2/h5-7,10,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).