N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide

C23H22N2O7S — CID 46669494

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(OC)c1
InChIInChI=1S/C23H22N2O7S/c1-29-17-7-9-19(21(13-17)30-2)23(26)24-15-3-5-16(6-4-15)25-33(27,28)18-8-10-20-22(14-18)32-12-11-31-20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyHLDFQWFFOBYREX-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.53
Rot. Bonds7

About N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide

N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide (PubChem CID 46669494) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide
PubChem CID46669494
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(OC)c1
InChIInChI=1S/C23H22N2O7S/c1-29-17-7-9-19(21(13-17)30-2)23(26)24-15-3-5-16(6-4-15)25-33(27,28)18-8-10-20-22(14-18)32-12-11-31-20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyHLDFQWFFOBYREX-UHFFFAOYSA-N
XLogP3.53
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 24536389
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide
CID 19257841
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 1090640
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(dimethylamino)benzamide
CID 24571318
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776965
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide (CID 46669494) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(OC)c1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide?
The InChIKey is HLDFQWFFOBYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-29-17-7-9-19(21(13-17)30-2)23(26)24-15-3-5-16(6-4-15)25-33(27,28)18-8-10-20-22(14-18)32-12-11-31-20/h3-10,13-14,25H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide has a molecular weight of 470.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 46669494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).