2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C12H16N2O5S — CID 82355158

IUPAC2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCC1Oc2ccc(S(=O)(=O)NCCO)cc2NC1=O
InChIInChI=1S/C12H16N2O5S/c1-2-10-12(16)14-9-7-8(3-4-11(9)19-10)20(17,18)13-5-6-15/h3-4,7,10,13,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyMVGOGLFFYPVGOW-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.07
Rot. Bonds5

About 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355158) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID82355158
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCC1Oc2ccc(S(=O)(=O)NCCO)cc2NC1=O
InChIInChI=1S/C12H16N2O5S/c1-2-10-12(16)14-9-7-8(3-4-11(9)19-10)20(17,18)13-5-6-15/h3-4,7,10,13,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyMVGOGLFFYPVGOW-UHFFFAOYSA-N
XLogP0.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355179
2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82355156
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridazine-4-carboxamide
CID 132765285
(2R)-6-ethylsulfonyl-2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 7062055
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]-2-(2-methoxyphenyl)acetamide
CID 132766155
N-ethyl-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 82355180
1-acetyl-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 132765953
N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 132766229
(2R)-N-(3-methoxypropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 51497441
3-(1,3-dimethylpyrazol-4-yl)-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 132766200
2-ethyl-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82177336

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 82355158) is 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is CCC1Oc2ccc(S(=O)(=O)NCCO)cc2NC1=O.
What is the InChIKey of 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is MVGOGLFFYPVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-2-10-12(16)14-9-7-8(3-4-11(9)19-10)20(17,18)13-5-6-15/h3-4,7,10,13,15H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).