2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide

C22H18ClN3O6S — CID 55641489

IUPAC2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1Cl
InChIInChI=1S/C22H18ClN3O6S/c23-18-11-15(5-7-17(18)21(24)27)25-22(28)13-1-3-14(4-2-13)26-33(29,30)16-6-8-19-20(12-16)32-10-9-31-19/h1-8,11-12,26H,9-10H2,(H2,24,27)(H,25,28)
InChIKeyPPCATBDBFBTAMX-UHFFFAOYSA-N
MW487.92 g/mol
LogP3.26
Rot. Bonds6

About 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide

2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide (PubChem CID 55641489) has the molecular formula C22H18ClN3O6S and a molecular weight of 487.92 g/mol. Its IUPAC name is 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide
PubChem CID55641489
Molecular FormulaC22H18ClN3O6S
Molecular Weight487.92 g/mol
Exact Mass487.06
IUPAC Name2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1Cl
InChIInChI=1S/C22H18ClN3O6S/c23-18-11-15(5-7-17(18)21(24)27)25-22(28)13-1-3-14(4-2-13)26-33(29,30)16-6-8-19-20(12-16)32-10-9-31-19/h1-8,11-12,26H,9-10H2,(H2,24,27)(H,25,28)
InChIKeyPPCATBDBFBTAMX-UHFFFAOYSA-N
XLogP3.26
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide
CID 2113497
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(phenylsulfamoyl)benzamide
CID 26712382
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(dimethylamino)benzamide
CID 24571318
4-(diethylaminomethyl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]benzamide
CID 55649769
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 35826812
N-[3-chloro-4-(dimethylamino)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 55821414
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
CID 36525734
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 41143956
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 24636529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide (CID 55641489) is 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide?
The InChIKey is PPCATBDBFBTAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O6S/c23-18-11-15(5-7-17(18)21(24)27)25-22(28)13-1-3-14(4-2-13)26-33(29,30)16-6-8-19-20(12-16)32-10-9-31-19/h1-8,11-12,26H,9-10H2,(H2,24,27)(H,25,28).
What are the key properties of 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide?
2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide has a molecular weight of 487.92 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 55641489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).