1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide

C24H24Cl2N4O5S2 — CID 43885429

IUPAC1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H24Cl2N4O5S2/c25-22-8-3-17(14-23(22)26)16-36(32,33)30-12-9-18(10-13-30)24(31)28-19-4-6-21(7-5-19)37(34,35)29-20-2-1-11-27-15-20/h1-8,11,14-15,18,29H,9-10,12-13,16H2,(H,28,31)
InChIKeyBKCPHTNXMLUTPH-UHFFFAOYSA-N
MW583.52 g/mol
LogP4.37
Rot. Bonds8

About 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 43885429) has the molecular formula C24H24Cl2N4O5S2 and a molecular weight of 583.52 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID43885429
Molecular FormulaC24H24Cl2N4O5S2
Molecular Weight583.52 g/mol
Exact Mass582.06
IUPAC Name1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H24Cl2N4O5S2/c25-22-8-3-17(14-23(22)26)16-36(32,33)30-12-9-18(10-13-30)24(31)28-19-4-6-21(7-5-19)37(34,35)29-20-2-1-11-27-15-20/h1-8,11,14-15,18,29H,9-10,12-13,16H2,(H,28,31)
InChIKeyBKCPHTNXMLUTPH-UHFFFAOYSA-N
XLogP4.37
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99940759
1-[(4-methylphenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43909876
1-(3-phenylpropylsulfonyl)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43904574
1-[(3-bromophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99941437
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 43876150
1-[(3-bromophenyl)methylsulfonyl]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99956141
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665675
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 98055283
1-[(4-chlorophenyl)methylsulfonyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99952302
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99940101
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 43885429) is 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BKCPHTNXMLUTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O5S2/c25-22-8-3-17(14-23(22)26)16-36(32,33)30-12-9-18(10-13-30)24(31)28-19-4-6-21(7-5-19)37(34,35)29-20-2-1-11-27-15-20/h1-8,11,14-15,18,29H,9-10,12-13,16H2,(H,28,31).
What are the key properties of 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 583.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43885429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).