N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide

C19H20N2O5S — CID 4313925

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O5S/c22-19(14-7-8-17-18(11-14)26-13-25-17)20-15-5-4-6-16(12-15)27(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2,(H,20,22)
InChIKeyMQXQBLGXTVTGJN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.84
Rot. Bonds4

About N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide

N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 4313925) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID4313925
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O5S/c22-19(14-7-8-17-18(11-14)26-13-25-17)20-15-5-4-6-16(12-15)27(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2,(H,20,22)
InChIKeyMQXQBLGXTVTGJN-UHFFFAOYSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide (CID 4313925) is N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is MQXQBLGXTVTGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-19(14-7-8-17-18(11-14)26-13-25-17)20-15-5-4-6-16(12-15)27(23,24)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2,(H,20,22).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4313925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).