1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide

C18H19Cl2N3O4S — CID 26515800

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C18H19Cl2N3O4S/c1-27-17-5-3-14(11-21-17)22-18(24)12-6-8-23(9-7-12)28(25,26)16-10-13(19)2-4-15(16)20/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyNWXPXQWRXGMGRU-UHFFFAOYSA-N
MW444.34 g/mol
LogP3.44
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 26515800) has the molecular formula C18H19Cl2N3O4S and a molecular weight of 444.34 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
PubChem CID26515800
Molecular FormulaC18H19Cl2N3O4S
Molecular Weight444.34 g/mol
Exact Mass443.05
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C18H19Cl2N3O4S/c1-27-17-5-3-14(11-21-17)22-18(24)12-6-8-23(9-7-12)28(25,26)16-10-13(19)2-4-15(16)20/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyNWXPXQWRXGMGRU-UHFFFAOYSA-N
XLogP3.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
1-(2,5-dichlorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 46651843
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-(2,5-dichlorophenyl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 55515782
N-(3-carbamoyl-4-fluorophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39213693
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131366
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 9210826
1-(2,5-difluorophenyl)sulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-4-carboxamide
CID 46467269
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7478552
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide (CID 26515800) is 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NWXPXQWRXGMGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c1-27-17-5-3-14(11-21-17)22-18(24)12-6-8-23(9-7-12)28(25,26)16-10-13(19)2-4-15(16)20/h2-5,10-12H,6-9H2,1H3,(H,22,24).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 444.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 26515800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).