(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide

C24H26N4O6S2 — CID 94864360

IUPAC(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)C2)cc1
InChIInChI=1S/C24H26N4O6S2/c1-34-21-8-12-23(13-9-21)36(32,33)28-15-3-4-18(17-28)24(29)26-19-6-10-22(11-7-19)35(30,31)27-20-5-2-14-25-16-20/h2,5-14,16,18,27H,3-4,15,17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyDKNLYESJGMXFJN-GOSISDBHSA-N
MW530.63 g/mol
LogP2.93
Rot. Bonds8

About (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 94864360) has the molecular formula C24H26N4O6S2 and a molecular weight of 530.63 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide
PubChem CID94864360
Molecular FormulaC24H26N4O6S2
Molecular Weight530.63 g/mol
Exact Mass530.13
IUPAC Name(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)C2)cc1
InChIInChI=1S/C24H26N4O6S2/c1-34-21-8-12-23(13-9-21)36(32,33)28-15-3-4-18(17-28)24(29)26-19-6-10-22(11-7-19)35(30,31)27-20-5-2-14-25-16-20/h2,5-14,16,18,27H,3-4,15,17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyDKNLYESJGMXFJN-GOSISDBHSA-N
XLogP2.93
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98054406
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1456755
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1457049
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 9225422
1-(4-methoxyphenyl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 24601879

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide (CID 94864360) is (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)C2)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is DKNLYESJGMXFJN-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O6S2/c1-34-21-8-12-23(13-9-21)36(32,33)28-15-3-4-18(17-28)24(29)26-19-6-10-22(11-7-19)35(30,31)27-20-5-2-14-25-16-20/h2,5-14,16,18,27H,3-4,15,17H2,1H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)sulfonyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94864360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).