3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide

C19H21N3O5S — CID 9271915

IUPAC3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H21N3O5S/c23-19(20-22-9-2-1-3-10-22)14-5-4-6-16(11-14)28(24,25)21-15-7-8-17-18(12-15)27-13-26-17/h4-8,11-12,21H,1-3,9-10,13H2,(H,20,23)
InChIKeyCAGMNNHAUNQIMZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.35
Rot. Bonds5

About 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide

3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide (PubChem CID 9271915) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
PubChem CID9271915
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide
SMILESO=C(NN1CCCCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H21N3O5S/c23-19(20-22-9-2-1-3-10-22)14-5-4-6-16(11-14)28(24,25)21-15-7-8-17-18(12-15)27-13-26-17/h4-8,11-12,21H,1-3,9-10,13H2,(H,20,23)
InChIKeyCAGMNNHAUNQIMZ-UHFFFAOYSA-N
XLogP2.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224817
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163346
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 42936334
3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
CID 167867389
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
CID 32904387
3-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1202069
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575917
3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204806
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide (CID 9271915) is 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide is O=C(NN1CCCCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide?
The InChIKey is CAGMNNHAUNQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-19(20-22-9-2-1-3-10-22)14-5-4-6-16(11-14)28(24,25)21-15-7-8-17-18(12-15)27-13-26-17/h4-8,11-12,21H,1-3,9-10,13H2,(H,20,23).
What are the key properties of 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide?
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylsulfamoyl)-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 9271915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).