N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C18H20ClN3O3S — CID 20851621

IUPACN-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c19-16-5-3-14(4-6-16)12-21-18(23)15-7-10-22(11-8-15)26(24,25)17-2-1-9-20-13-17/h1-6,9,13,15H,7-8,10-12H2,(H,21,23)
InChIKeyPJVRWIMDRUXMEU-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.45
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 20851621) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID20851621
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c19-16-5-3-14(4-6-16)12-21-18(23)15-7-10-22(11-8-15)26(24,25)17-2-1-9-20-13-17/h1-6,9,13,15H,7-8,10-12H2,(H,21,23)
InChIKeyPJVRWIMDRUXMEU-UHFFFAOYSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 20851621) is N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PJVRWIMDRUXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-5-3-14(4-6-16)12-21-18(23)15-7-10-22(11-8-15)26(24,25)17-2-1-9-20-13-17/h1-6,9,13,15H,7-8,10-12H2,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20851621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).