N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride

C13H19ClN2O4S — CID 120585680

IUPACN-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCC1CC(NS(=O)(=O)c2ccc3c(c2)OCO3)CCN1.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-9-6-10(4-5-14-9)15-20(16,17)11-2-3-12-13(7-11)19-8-18-12;/h2-3,7,9-10,14-15H,4-6,8H2,1H3;1H
InChIKeyUVSHGQZUFFZYFY-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.26
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride

N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride (PubChem CID 120585680) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
PubChem CID120585680
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC NameN-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCC1CC(NS(=O)(=O)c2ccc3c(c2)OCO3)CCN1.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-9-6-10(4-5-14-9)15-20(16,17)11-2-3-12-13(7-11)19-8-18-12;/h2-3,7,9-10,14-15H,4-6,8H2,1H3;1H
InChIKeyUVSHGQZUFFZYFY-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586097
N-(2-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106995719
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
3-bromo-N-(2-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 120586161
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
4-chloro-N-(2-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide
CID 106995700
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110871310
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride (CID 120585680) is N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride is CC1CC(NS(=O)(=O)c2ccc3c(c2)OCO3)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The InChIKey is UVSHGQZUFFZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S.ClH/c1-9-6-10(4-5-14-9)15-20(16,17)11-2-3-12-13(7-11)19-8-18-12;/h2-3,7,9-10,14-15H,4-6,8H2,1H3;1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride has a molecular weight of 334.83 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120585680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).