1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine

C21H23Cl2N5O2S — CID 11798914

IUPAC1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C21H23Cl2N5O2S/c22-19-6-5-18(13-20(19)23)31(29,30)27-11-7-16(8-12-27)14-24-15-17-3-1-4-21(26-17)28-10-2-9-25-28/h1-6,9-10,13,16,24H,7-8,11-12,14-15H2
InChIKeyQULOUYMPQMKBPJ-UHFFFAOYSA-N
MW480.42 g/mol
LogP3.76
Rot. Bonds7

About 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine

1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine (PubChem CID 11798914) has the molecular formula C21H23Cl2N5O2S and a molecular weight of 480.42 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine
PubChem CID11798914
Molecular FormulaC21H23Cl2N5O2S
Molecular Weight480.42 g/mol
Exact Mass479.09
IUPAC Name1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1
InChIInChI=1S/C21H23Cl2N5O2S/c22-19-6-5-18(13-20(19)23)31(29,30)27-11-7-16(8-12-27)14-24-15-17-3-1-4-21(26-17)28-10-2-9-25-28/h1-6,9-10,13,16,24H,7-8,11-12,14-15H2
InChIKeyQULOUYMPQMKBPJ-UHFFFAOYSA-N
XLogP3.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine (CID 11798914) is 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine?
The InChIKey is QULOUYMPQMKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O2S/c22-19-6-5-18(13-20(19)23)31(29,30)27-11-7-16(8-12-27)14-24-15-17-3-1-4-21(26-17)28-10-2-9-25-28/h1-6,9-10,13,16,24H,7-8,11-12,14-15H2.
What are the key properties of 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine?
1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine has a molecular weight of 480.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 11798914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).