1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C18H19Cl2N3O3S — CID 1078712

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H19Cl2N3O3S/c19-15-3-4-16(20)17(10-15)27(25,26)23-8-5-14(6-9-23)18(24)22-12-13-2-1-7-21-11-13/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,22,24)
InChIKeyQOSXKEBMXWALSX-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.11
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 1078712) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID1078712
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H19Cl2N3O3S/c19-15-3-4-16(20)17(10-15)27(25,26)23-8-5-14(6-9-23)18(24)22-12-13-2-1-7-21-11-13/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,22,24)
InChIKeyQOSXKEBMXWALSX-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 649951
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6462258
8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid amide
CID 10072535
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444077
1-(3-Chlorobenzenesulfonyl)-4-(pyridine-4-carbonyl)piperazine
CID 8115719
1-(3-Chloro-4-methyl-benzenesulfonyl)-piperidine-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 651826
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1082930
2-{[(4-chlorophenyl)sulfonyl]cyclohexylamino}-N-(3-pyridylmethyl)acetamide
CID 1154648
1-(phenylsulfonyl)-N-(3-pyridinylmethyl)-3-piperidinecarboxamide
CID 2974262
1-[(2,5-dichlorophenyl)sulfonyl]-N-(4-pyridinylmethyl)-3-piperidinecarboxamide
CID 2985872

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 1078712) is 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is QOSXKEBMXWALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c19-15-3-4-16(20)17(10-15)27(25,26)23-8-5-14(6-9-23)18(24)22-12-13-2-1-7-21-11-13/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,22,24).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 428.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1078712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).