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

C17H18N2O5S — CID 16615861

IUPAC3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H18N2O5S/c1-2-9-23-15-6-4-3-5-13(15)19-25(21,22)12-7-8-16-14(10-12)18-17(20)11-24-16/h3-8,10,19H,2,9,11H2,1H3,(H,18,20)
InChIKeyMBQNFUKCNFEFBF-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.61
Rot. Bonds6

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

3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 16615861) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID16615861
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H18N2O5S/c1-2-9-23-15-6-4-3-5-13(15)19-25(21,22)12-7-8-16-14(10-12)18-17(20)11-24-16/h3-8,10,19H,2,9,11H2,1H3,(H,18,20)
InChIKeyMBQNFUKCNFEFBF-UHFFFAOYSA-N
XLogP2.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-(2-benzylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615812
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
3-methoxy-N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-4-propoxybenzohydrazide
CID 18281670
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 18147171
3-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 16621028
N-(2-ethylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759122
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 51335151
N-(4-butylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16620678
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide (CID 16615861) is 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide is CCCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is MBQNFUKCNFEFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-2-9-23-15-6-4-3-5-13(15)19-25(21,22)12-7-8-16-14(10-12)18-17(20)11-24-16/h3-8,10,19H,2,9,11H2,1H3,(H,18,20).
What are the key properties of 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 16615861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).