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

C22H18FN3O6S — CID 55618964

IUPAC5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F
InChIInChI=1S/C22H18FN3O6S/c23-17-7-5-13(11-16(17)21(24)27)25-22(28)15-3-1-2-4-18(15)26-33(29,30)14-6-8-19-20(12-14)32-10-9-31-19/h1-8,11-12,26H,9-10H2,(H2,24,27)(H,25,28)
InChIKeyWLHDREIDYKARAD-UHFFFAOYSA-N
MW471.47 g/mol
LogP2.75
Rot. Bonds6

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

5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide (PubChem CID 55618964) has the molecular formula C22H18FN3O6S and a molecular weight of 471.47 g/mol. Its IUPAC name is 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
PubChem CID55618964
Molecular FormulaC22H18FN3O6S
Molecular Weight471.47 g/mol
Exact Mass471.09
IUPAC Name5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F
InChIInChI=1S/C22H18FN3O6S/c23-17-7-5-13(11-16(17)21(24)27)25-22(28)15-3-1-2-4-18(15)26-33(29,30)14-6-8-19-20(12-14)32-10-9-31-19/h1-8,11-12,26H,9-10H2,(H2,24,27)(H,25,28)
InChIKeyWLHDREIDYKARAD-UHFFFAOYSA-N
XLogP2.75
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
CID 55558783
methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31701349
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 166324651
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide
CID 55641489
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide?
The IUPAC name of 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide (CID 55618964) is 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide?
The canonical SMILES for 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide is NC(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F.
What is the InChIKey of 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide?
The InChIKey is WLHDREIDYKARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O6S/c23-17-7-5-13(11-16(17)21(24)27)25-22(28)15-3-1-2-4-18(15)26-33(29,30)14-6-8-19-20(12-14)32-10-9-31-19/h1-8,11-12,26H,9-10H2,(H2,24,27)(H,25,28).
What are the key properties of 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide?
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide has a molecular weight of 471.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 55618964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).