2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C24H25Cl2N3O5S2 — CID 86274074

IUPAC2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(c3cccc(C)n3)S(=O)(=O)c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C24H25Cl2N3O5S2/c1-17-6-5-9-24(27-17)29(36(32,33)23-8-4-3-7-20(23)25)18-12-14-28(15-13-18)35(30,31)19-10-11-22(34-2)21(26)16-19/h3-11,16,18H,12-15H2,1-2H3
InChIKeyAXAMNCICNLODOO-UHFFFAOYSA-N
MW570.52 g/mol
LogP4.75
Rot. Bonds7

About 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide

2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 86274074) has the molecular formula C24H25Cl2N3O5S2 and a molecular weight of 570.52 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID86274074
Molecular FormulaC24H25Cl2N3O5S2
Molecular Weight570.52 g/mol
Exact Mass569.06
IUPAC Name2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(c3cccc(C)n3)S(=O)(=O)c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C24H25Cl2N3O5S2/c1-17-6-5-9-24(27-17)29(36(32,33)23-8-4-3-7-20(23)25)18-12-14-28(15-13-18)35(30,31)19-10-11-22(34-2)21(26)16-19/h3-11,16,18H,12-15H2,1-2H3
InChIKeyAXAMNCICNLODOO-UHFFFAOYSA-N
XLogP4.75
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 86273835
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea
CID 86273592
[4-[(2-chlorophenyl)sulfonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]-methylborinic acid
CID 123585914
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
2-chloro-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide;2-chloro-N-[6-(hydroxymethyl)-2-pyridinyl]-N-piperidin-4-ylbenzenesulfonamide;4-ethylbenzenesulfonyl chloride
CID 159074617
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 53130859
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100799999
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 126364089
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130639
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 37479505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 86274074) is 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N2CCC(N(c3cccc(C)n3)S(=O)(=O)c3ccccc3Cl)CC2)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is AXAMNCICNLODOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O5S2/c1-17-6-5-9-24(27-17)29(36(32,33)23-8-4-3-7-20(23)25)18-12-14-28(15-13-18)35(30,31)19-10-11-22(34-2)21(26)16-19/h3-11,16,18H,12-15H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 570.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 86274074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).