4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide

C16H23ClN2O3S — CID 131908741

IUPAC4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)19-9-7-13(8-10-19)12-18-16(20)14-3-5-15(17)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyFQUPPMAJTGGQCH-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.52
Rot. Bonds6

About 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide

4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 131908741) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID131908741
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)19-9-7-13(8-10-19)12-18-16(20)14-3-5-15(17)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,18,20)
InChIKeyFQUPPMAJTGGQCH-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide (CID 131908741) is 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is FQUPPMAJTGGQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)19-9-7-13(8-10-19)12-18-16(20)14-3-5-15(17)6-4-14/h3-6,13H,2,7-12H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide?
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 358.89 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 131908741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).