1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide

C20H23IN2O3S — CID 133254954

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(I)cc3)C2)c1
InChIInChI=1S/C20H23IN2O3S/c1-14-5-6-15(2)19(12-14)27(25,26)23-11-3-4-16(13-23)20(24)22-18-9-7-17(21)8-10-18/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyPYHWOHVAJHGPJY-UHFFFAOYSA-N
MW498.39 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide (PubChem CID 133254954) has the molecular formula C20H23IN2O3S and a molecular weight of 498.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
PubChem CID133254954
Molecular FormulaC20H23IN2O3S
Molecular Weight498.39 g/mol
Exact Mass498.05
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(I)cc3)C2)c1
InChIInChI=1S/C20H23IN2O3S/c1-14-5-6-15(2)19(12-14)27(25,26)23-11-3-4-16(13-23)20(24)22-18-9-7-17(21)8-10-18/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyPYHWOHVAJHGPJY-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
N-(4-bromophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254953
N-(3,5-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254941
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 100780110
(3S)-N-(4-butylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780257
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
(3S)-N-(1,2-benzothiazol-5-yl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 125062238
(3R)-N-(1,2-benzothiazol-5-yl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779776

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide (CID 133254954) is 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(I)cc3)C2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide?
The InChIKey is PYHWOHVAJHGPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O3S/c1-14-5-6-15(2)19(12-14)27(25,26)23-11-3-4-16(13-23)20(24)22-18-9-7-17(21)8-10-18/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,22,24).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide has a molecular weight of 498.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 133254954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).