4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C13H21ClN2O2S — CID 47003116

IUPAC4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12;/h4-7,12,14-15H,2-3,8-10H2,1H3;1H
InChIKeyALFSMDMFRCRDRR-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.69
Rot. Bonds4

About 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 47003116) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID47003116
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12;/h4-7,12,14-15H,2-3,8-10H2,1H3;1H
InChIKeyALFSMDMFRCRDRR-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 47003116) is 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is ALFSMDMFRCRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12;/h4-7,12,14-15H,2-3,8-10H2,1H3;1H.
What are the key properties of 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 47003116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).