4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

C24H26N4O5S2 — CID 43909304

IUPAC4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26N4O5S2/c29-24(20-9-7-19(8-10-20)18-34(30,31)28-16-4-1-5-17-28)26-21-11-13-22(14-12-21)35(32,33)27-23-6-2-3-15-25-23/h2-3,6-15H,1,4-5,16-18H2,(H,25,27)(H,26,29)
InChIKeyROLDHPCYAFLXKH-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.45
Rot. Bonds8

About 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 43909304) has the molecular formula C24H26N4O5S2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID43909304
Molecular FormulaC24H26N4O5S2
Molecular Weight514.63 g/mol
Exact Mass514.13
IUPAC Name4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26N4O5S2/c29-24(20-9-7-19(8-10-20)18-34(30,31)28-16-4-1-5-17-28)26-21-11-13-22(14-12-21)35(32,33)27-23-6-2-3-15-25-23/h2-3,6-15H,1,4-5,16-18H2,(H,25,27)(H,26,29)
InChIKeyROLDHPCYAFLXKH-UHFFFAOYSA-N
XLogP3.45
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99957022
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43904843
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 28635441
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1408086

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (CID 43909304) is 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is ROLDHPCYAFLXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S2/c29-24(20-9-7-19(8-10-20)18-34(30,31)28-16-4-1-5-17-28)26-21-11-13-22(14-12-21)35(32,33)27-23-6-2-3-15-25-23/h2-3,6-15H,1,4-5,16-18H2,(H,25,27)(H,26,29).
What are the key properties of 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 514.63 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 43909304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).