2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide

C18H19Cl2N3O3S — CID 90521613

IUPAC2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O3S/c19-14-3-4-17(20)16(10-14)18(24)22-11-13-5-8-23(9-6-13)27(25,26)15-2-1-7-21-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,24)
InChIKeyYSOXYEGAPLWMPK-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.22
Rot. Bonds5

About 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide

2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 90521613) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID90521613
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC Name2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O3S/c19-14-3-4-17(20)16(10-14)18(24)22-11-13-5-8-23(9-6-13)27(25,26)15-2-1-7-21-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,24)
InChIKeyYSOXYEGAPLWMPK-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521554
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 90521562
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pent-4-enamide
CID 90521514
N'-(3,5-dimethylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521064
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55807191
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide (CID 90521613) is 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide is O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is YSOXYEGAPLWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c19-14-3-4-17(20)16(10-14)18(24)22-11-13-5-8-23(9-6-13)27(25,26)15-2-1-7-21-12-15/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,24).
What are the key properties of 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide?
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 428.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 90521613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).