5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide

C23H20N4O7S — CID 2113497

IUPAC5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc(C(N)=O)c1
InChIInChI=1S/C23H20N4O7S/c24-21(28)14-9-15(22(25)29)11-17(10-14)26-23(30)13-1-3-16(4-2-13)27-35(31,32)18-5-6-19-20(12-18)34-8-7-33-19/h1-6,9-12,27H,7-8H2,(H2,24,28)(H2,25,29)(H,26,30)
InChIKeyAKEFLXYYIOSXBL-UHFFFAOYSA-N
MW496.50 g/mol
LogP1.71
Rot. Bonds7

About 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide

5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide (PubChem CID 2113497) has the molecular formula C23H20N4O7S and a molecular weight of 496.50 g/mol. Its IUPAC name is 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide
PubChem CID2113497
Molecular FormulaC23H20N4O7S
Molecular Weight496.50 g/mol
Exact Mass496.11
IUPAC Name5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc(C(N)=O)c1
InChIInChI=1S/C23H20N4O7S/c24-21(28)14-9-15(22(25)29)11-17(10-14)26-23(30)13-1-3-16(4-2-13)27-35(31,32)18-5-6-19-20(12-18)34-8-7-33-19/h1-6,9-12,27H,7-8H2,(H2,24,28)(H2,25,29)(H,26,30)
InChIKeyAKEFLXYYIOSXBL-UHFFFAOYSA-N
XLogP1.71
TPSA179.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide
CID 55641489
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 35826812
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(phenylsulfamoyl)benzamide
CID 26712382
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(dimethylamino)benzamide
CID 24571318
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
4-(diethylaminomethyl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]benzamide
CID 55649769
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-sulfamoylphenyl)benzamide
CID 4844447
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid
CID 1083525
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-phenylpyridine-3-carboxamide
CID 20910460

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide (CID 2113497) is 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide is NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc(C(N)=O)c1.
What is the InChIKey of 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is AKEFLXYYIOSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O7S/c24-21(28)14-9-15(22(25)29)11-17(10-14)26-23(30)13-1-3-16(4-2-13)27-35(31,32)18-5-6-19-20(12-18)34-8-7-33-19/h1-6,9-12,27H,7-8H2,(H2,24,28)(H2,25,29)(H,26,30).
What are the key properties of 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide?
5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 496.50 g/mol, XLogP of 1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 2113497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).