2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide

C17H18N2O6S — CID 110404413

IUPAC2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2Oc3ccccc3NC2=O)c(OC)c1
InChIInChI=1S/C17H18N2O6S/c1-23-11-7-8-16(14(9-11)24-2)26(21,22)18-10-15-17(20)19-12-5-3-4-6-13(12)25-15/h3-9,15,18H,10H2,1-2H3,(H,19,20)
InChIKeyFYEMSTVJUMDABO-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.38
Rot. Bonds6

About 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide

2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide (PubChem CID 110404413) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
PubChem CID110404413
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2Oc3ccccc3NC2=O)c(OC)c1
InChIInChI=1S/C17H18N2O6S/c1-23-11-7-8-16(14(9-11)24-2)26(21,22)18-10-15-17(20)19-12-5-3-4-6-13(12)25-15/h3-9,15,18H,10H2,1-2H3,(H,19,20)
InChIKeyFYEMSTVJUMDABO-UHFFFAOYSA-N
XLogP1.38
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
CID 110751818
4-methoxy-2-methyl-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404573
N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110404453
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9474071
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 51169117
N-[(4-methoxyphenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481010
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide (CID 110404413) is 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2Oc3ccccc3NC2=O)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is FYEMSTVJUMDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-23-11-7-8-16(14(9-11)24-2)26(21,22)18-10-15-17(20)19-12-5-3-4-6-13(12)25-15/h3-9,15,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide?
2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 378.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110404413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).