N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide

C20H15FN2O5S — CID 2336815

IUPACN-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O5S/c21-13-5-8-15(9-6-13)29(25,26)23-17-4-2-1-3-16(17)20(24)22-14-7-10-18-19(11-14)28-12-27-18/h1-11,23H,12H2,(H,22,24)
InChIKeyCMIKZYWVQBVTKU-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.61
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 2336815) has the molecular formula C20H15FN2O5S and a molecular weight of 414.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID2336815
Molecular FormulaC20H15FN2O5S
Molecular Weight414.41 g/mol
Exact Mass414.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O5S/c21-13-5-8-15(9-6-13)29(25,26)23-17-4-2-1-3-16(17)20(24)22-14-7-10-18-19(11-14)28-12-27-18/h1-11,23H,12H2,(H,22,24)
InChIKeyCMIKZYWVQBVTKU-UHFFFAOYSA-N
XLogP3.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
CID 55618964
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31701349
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 2336815) is N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is CMIKZYWVQBVTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5S/c21-13-5-8-15(9-6-13)29(25,26)23-17-4-2-1-3-16(17)20(24)22-14-7-10-18-19(11-14)28-12-27-18/h1-11,23H,12H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 414.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2336815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).