N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide

C20H25ClN2O2S — CID 16887834

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O2S/c21-20-8-4-7-19(13-20)16-26(24,25)22-14-17-9-11-23(12-10-17)15-18-5-2-1-3-6-18/h1-8,13,17,22H,9-12,14-16H2
InChIKeyAKCDNJBLZURFID-UHFFFAOYSA-N
MW392.95 g/mol
LogP3.67
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide (PubChem CID 16887834) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide
PubChem CID16887834
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O2S/c21-20-8-4-7-19(13-20)16-26(24,25)22-14-17-9-11-23(12-10-17)15-18-5-2-1-3-6-18/h1-8,13,17,22H,9-12,14-16H2
InChIKeyAKCDNJBLZURFID-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide (CID 16887834) is N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide?
The InChIKey is AKCDNJBLZURFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c21-20-8-4-7-19(13-20)16-26(24,25)22-14-17-9-11-23(12-10-17)15-18-5-2-1-3-6-18/h1-8,13,17,22H,9-12,14-16H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide has a molecular weight of 392.95 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-1-(3-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 16887834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).