N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride

C14H21ClN2O4S — CID 120720227

IUPACN-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-14(4-6-15-7-5-14)9-16-21(17,18)11-2-3-12-13(8-11)20-10-19-12;/h2-3,8,15-16H,4-7,9-10H2,1H3;1H
InChIKeyGLMPEERUKBYMNK-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.51
Rot. Bonds4

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

N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride (PubChem CID 120720227) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
PubChem CID120720227
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C14H20N2O4S.ClH/c1-14(4-6-15-7-5-14)9-16-21(17,18)11-2-3-12-13(8-11)20-10-19-12;/h2-3,8,15-16H,4-7,9-10H2,1H3;1H
InChIKeyGLMPEERUKBYMNK-UHFFFAOYSA-N
XLogP1.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120720142
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
4-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720362
3-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 120720114
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120721486
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110359364
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride (CID 120720227) is N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2ccc3c(c2)OCO3)CCNCC1.Cl.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride?
The InChIKey is GLMPEERUKBYMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S.ClH/c1-14(4-6-15-7-5-14)9-16-21(17,18)11-2-3-12-13(8-11)20-10-19-12;/h2-3,8,15-16H,4-7,9-10H2,1H3;1H.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride?
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120720227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).