2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride

C13H21ClN2O3S — CID 18539168

IUPAC2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(CC2CCNCC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-18-12-3-2-11(9-13(12)19(14,16)17)8-10-4-6-15-7-5-10;/h2-3,9-10,15H,4-8H2,1H3,(H2,14,16,17);1H
InChIKeyBXZFENFPYFJNJE-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.31
Rot. Bonds4

About 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride

2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 18539168) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID18539168
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(CC2CCNCC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-18-12-3-2-11(9-13(12)19(14,16)17)8-10-4-6-15-7-5-10;/h2-3,9-10,15H,4-8H2,1H3,(H2,14,16,17);1H
InChIKeyBXZFENFPYFJNJE-UHFFFAOYSA-N
XLogP1.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]benzenesulfonamide
CID 11323624
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
CID 117379596
5-(4-aminobutyl)-2-methoxybenzenesulfonamide;hydrochloride
CID 22157092
4-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422375
2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 103164409
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
CID 117413198
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
CID 117470870
[4-methoxy-3-[3-(piperidin-4-ylmethyl)phenyl]phenyl]methylurea
CID 143846341

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride (CID 18539168) is 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride is COc1ccc(CC2CCNCC2)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is BXZFENFPYFJNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-18-12-3-2-11(9-13(12)19(14,16)17)8-10-4-6-15-7-5-10;/h2-3,9-10,15H,4-8H2,1H3,(H2,14,16,17);1H.
What are the key properties of 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 18539168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).