1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide

C22H29N3O5S2 — CID 24687063

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1C
InChIInChI=1S/C22H29N3O5S2/c1-16-8-9-21(14-17(16)2)32(29,30)25-12-10-18(11-13-25)22(26)23-19-6-5-7-20(15-19)31(27,28)24(3)4/h5-9,14-15,18H,10-13H2,1-4H3,(H,23,26)
InChIKeyJEZNERXIXNMRGP-UHFFFAOYSA-N
MW479.62 g/mol
LogP2.59
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 24687063) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID24687063
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1C
InChIInChI=1S/C22H29N3O5S2/c1-16-8-9-21(14-17(16)2)32(29,30)25-12-10-18(11-13-25)22(26)23-19-6-5-7-20(15-19)31(27,28)24(3)4/h5-9,14-15,18H,10-13H2,1-4H3,(H,23,26)
InChIKeyJEZNERXIXNMRGP-UHFFFAOYSA-N
XLogP2.59
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
[3-(dimethylsulfamoyl)phenyl]methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 55320815
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927
1-(4-chlorophenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 100798905
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26521726
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 24687063) is 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is JEZNERXIXNMRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-16-8-9-21(14-17(16)2)32(29,30)25-12-10-18(11-13-25)22(26)23-19-6-5-7-20(15-19)31(27,28)24(3)4/h5-9,14-15,18H,10-13H2,1-4H3,(H,23,26).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24687063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).