N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide

C19H22N2O5S — CID 110359714

IUPACN-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O5S/c1-24-17-7-5-14(21-9-3-2-4-10-21)11-16(17)20-27(22,23)15-6-8-18-19(12-15)26-13-25-18/h5-8,11-12,20H,2-4,9-10,13H2,1H3
InChIKeyGDGOSPMOEONRLG-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.21
Rot. Bonds5

About N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide

N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110359714) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110359714
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
SMILESCOc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O5S/c1-24-17-7-5-14(21-9-3-2-4-10-21)11-16(17)20-27(22,23)15-6-8-18-19(12-15)26-13-25-18/h5-8,11-12,20H,2-4,9-10,13H2,1H3
InChIKeyGDGOSPMOEONRLG-UHFFFAOYSA-N
XLogP3.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110361952
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6499996
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110362086
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide
CID 110613161

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide (CID 110359714) is N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide is COc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is GDGOSPMOEONRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-24-17-7-5-14(21-9-3-2-4-10-21)11-16(17)20-27(22,23)15-6-8-18-19(12-15)26-13-25-18/h5-8,11-12,20H,2-4,9-10,13H2,1H3.
What are the key properties of N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 390.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110359714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).