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

C14H21Cl3N2O2S — CID 120720466

IUPAC1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C14H20Cl2N2O2S.ClH/c1-14(2-4-17-5-3-14)10-18-21(19,20)9-11-6-12(15)8-13(16)7-11;/h6-8,17-18H,2-5,9-10H2,1H3;1H
InChIKeyBDWBMWNMVDWAPL-UHFFFAOYSA-N
MW387.76 g/mol
LogP3.22
Rot. Bonds5

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

1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride (PubChem CID 120720466) has the molecular formula C14H21Cl3N2O2S and a molecular weight of 387.76 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
PubChem CID120720466
Molecular FormulaC14H21Cl3N2O2S
Molecular Weight387.76 g/mol
Exact Mass386.04
IUPAC Name1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C14H20Cl2N2O2S.ClH/c1-14(2-4-17-5-3-14)10-18-21(19,20)9-11-6-12(15)8-13(16)7-11;/h6-8,17-18H,2-5,9-10H2,1H3;1H
InChIKeyBDWBMWNMVDWAPL-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.76
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride (CID 120720466) is 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride is CC1(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CCNCC1.Cl.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride?
The InChIKey is BDWBMWNMVDWAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S.ClH/c1-14(2-4-17-5-3-14)10-18-21(19,20)9-11-6-12(15)8-13(16)7-11;/h6-8,17-18H,2-5,9-10H2,1H3;1H.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride?
1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride has a molecular weight of 387.76 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120720466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).