1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

C19H24ClN3O2S — CID 16888080

IUPAC1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c20-19-3-1-2-18(12-19)15-26(24,25)22-13-16-6-10-23(11-7-16)14-17-4-8-21-9-5-17/h1-5,8-9,12,16,22H,6-7,10-11,13-15H2
InChIKeyGRBCBEOGXYFIGX-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.07
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 16888080) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID16888080
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c20-19-3-1-2-18(12-19)15-26(24,25)22-13-16-6-10-23(11-7-16)14-17-4-8-21-9-5-17/h1-5,8-9,12,16,22H,6-7,10-11,13-15H2
InChIKeyGRBCBEOGXYFIGX-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888338
tert-butyl 4-[[(3-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylate
CID 71630261
2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 16888085
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 90522760
4-propoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888065
2-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888004
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (CID 16888080) is 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is GRBCBEOGXYFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c20-19-3-1-2-18(12-19)15-26(24,25)22-13-16-6-10-23(11-7-16)14-17-4-8-21-9-5-17/h1-5,8-9,12,16,22H,6-7,10-11,13-15H2.
What are the key properties of 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 16888080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).