N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride

C15H21ClN2O3S — CID 19064525

IUPACN-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
SMILESCN1CCC(c2coc3ccc(NS(C)(=O)=O)cc23)CC1.Cl
InChIInChI=1S/C15H20N2O3S.ClH/c1-17-7-5-11(6-8-17)14-10-20-15-4-3-12(9-13(14)15)16-21(2,18)19;/h3-4,9-11,16H,5-8H2,1-2H3;1H
InChIKeyXQQCNABDJMBSJH-UHFFFAOYSA-N
MW344.86 g/mol
LogP3.04
Rot. Bonds3

About N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride

N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride (PubChem CID 19064525) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
PubChem CID19064525
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
SMILESCN1CCC(c2coc3ccc(NS(C)(=O)=O)cc23)CC1.Cl
InChIInChI=1S/C15H20N2O3S.ClH/c1-17-7-5-11(6-8-17)14-10-20-15-4-3-12(9-13(14)15)16-21(2,18)19;/h3-4,9-11,16H,5-8H2,1-2H3;1H
InChIKeyXQQCNABDJMBSJH-UHFFFAOYSA-N
XLogP3.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride (CID 19064525) is N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride is CN1CCC(c2coc3ccc(NS(C)(=O)=O)cc23)CC1.Cl.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride?
The InChIKey is XQQCNABDJMBSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S.ClH/c1-17-7-5-11(6-8-17)14-10-20-15-4-3-12(9-13(14)15)16-21(2,18)19;/h3-4,9-11,16H,5-8H2,1-2H3;1H.
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride?
N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 19064525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).