1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

C14H21ClN2O2S — CID 16887503

IUPAC1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCN1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-17-8-6-12(7-9-17)10-16-20(18,19)11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3
InChIKeyHQOPYOIQLBOWAH-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.10
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 16887503) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID16887503
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
SMILESCN1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-17-8-6-12(7-9-17)10-16-20(18,19)11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3
InChIKeyHQOPYOIQLBOWAH-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide (CID 16887503) is 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide is CN1CCC(CNS(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is HQOPYOIQLBOWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-17-8-6-12(7-9-17)10-16-20(18,19)11-13-2-4-14(15)5-3-13/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 16887503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).