N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

C16H19Cl2N5O3S — CID 17022797

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)CC1
InChIInChI=1S/C16H19Cl2N5O3S/c1-27(25,26)23-7-5-11(6-8-23)15(24)20-16-19-10-22(21-16)9-12-13(17)3-2-4-14(12)18/h2-4,10-11H,5-9H2,1H3,(H,20,21,24)
InChIKeyPDLPWNISACPVQP-UHFFFAOYSA-N
MW432.33 g/mol
LogP2.24
Rot. Bonds5

About N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 17022797) has the molecular formula C16H19Cl2N5O3S and a molecular weight of 432.33 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID17022797
Molecular FormulaC16H19Cl2N5O3S
Molecular Weight432.33 g/mol
Exact Mass431.06
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)CC1
InChIInChI=1S/C16H19Cl2N5O3S/c1-27(25,26)23-7-5-11(6-8-23)15(24)20-16-19-10-22(21-16)9-12-13(17)3-2-4-14(12)18/h2-4,10-11H,5-9H2,1H3,(H,20,21,24)
InChIKeyPDLPWNISACPVQP-UHFFFAOYSA-N
XLogP2.24
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide 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

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17022867
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-(1-benzyl-1,2,4-triazol-3-yl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
CID 55857681
methyl 2-[4-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55857553
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 19405355
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19411665
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19285254
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19479386
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19394773
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 17022797) is N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)CC1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is PDLPWNISACPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O3S/c1-27(25,26)23-7-5-11(6-8-23)15(24)20-16-19-10-22(21-16)9-12-13(17)3-2-4-14(12)18/h2-4,10-11H,5-9H2,1H3,(H,20,21,24).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 432.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17022797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).