6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride

C13H19ClN2O4S — CID 120874460

IUPAC6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCNCC1)OCO2.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-9-6-11-12(19-8-18-11)7-13(9)20(16,17)15-10-2-4-14-5-3-10;/h6-7,10,14-15H,2-5,8H2,1H3;1H
InChIKeyGFLATOZGLZORCM-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.18
Rot. Bonds3

About 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride

6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride (PubChem CID 120874460) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
PubChem CID120874460
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCNCC1)OCO2.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-9-6-11-12(19-8-18-11)7-13(9)20(16,17)15-10-2-4-14-5-3-10;/h6-7,10,14-15H,2-5,8H2,1H3;1H
InChIKeyGFLATOZGLZORCM-UHFFFAOYSA-N
XLogP1.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388
6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119960718
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 120999726
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
6-methyl-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874714
1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120874426
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 5312260

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The IUPAC name of 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride (CID 120874460) is 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The canonical SMILES for 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride is Cc1cc2c(cc1S(=O)(=O)NC1CCNCC1)OCO2.Cl.
What is the InChIKey of 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The InChIKey is GFLATOZGLZORCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S.ClH/c1-9-6-11-12(19-8-18-11)7-13(9)20(16,17)15-10-2-4-14-5-3-10;/h6-7,10,14-15H,2-5,8H2,1H3;1H.
What are the key properties of 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride?
6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride has a molecular weight of 334.83 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120874460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).