N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide

C12H16N2O4S — CID 28811020

IUPACN-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O4S/c15-19(16,14-9-3-5-13-6-4-9)10-1-2-11-12(7-10)18-8-17-11/h1-2,7,9,13-14H,3-6,8H2
InChIKeyHDVWZVBECFBDAF-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.45
Rot. Bonds3

About N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide

N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide (PubChem CID 28811020) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
PubChem CID28811020
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H16N2O4S/c15-19(16,14-9-3-5-13-6-4-9)10-1-2-11-12(7-10)18-8-17-11/h1-2,7,9,13-14H,3-6,8H2
InChIKeyHDVWZVBECFBDAF-UHFFFAOYSA-N
XLogP0.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680
4-(1,3-benzodioxol-5-ylsulfonyl)piperidine
CID 82305550
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide (CID 28811020) is N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NC1CCNCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is HDVWZVBECFBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-19(16,14-9-3-5-13-6-4-9)10-1-2-11-12(7-10)18-8-17-11/h1-2,7,9,13-14H,3-6,8H2.
What are the key properties of N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide?
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 28811020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).