1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide

C18H18FIN2O3S — CID 24640994

IUPAC1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H18FIN2O3S/c19-16-3-1-2-4-17(16)26(24,25)22-11-9-13(10-12-22)18(23)21-15-7-5-14(20)6-8-15/h1-8,13H,9-12H2,(H,21,23)
InChIKeyABVBJYDSKRCZDT-UHFFFAOYSA-N
MW488.32 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide (PubChem CID 24640994) has the molecular formula C18H18FIN2O3S and a molecular weight of 488.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
PubChem CID24640994
Molecular FormulaC18H18FIN2O3S
Molecular Weight488.32 g/mol
Exact Mass488.01
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H18FIN2O3S/c19-16-3-1-2-4-17(16)26(24,25)22-11-9-13(10-12-22)18(23)21-15-7-5-14(20)6-8-15/h1-8,13H,9-12H2,(H,21,23)
InChIKeyABVBJYDSKRCZDT-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.32
LogP ≤ 53.47
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

1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-(9H-fluoren-2-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24637031
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 38255420
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119450805
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819
N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166626240
1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935009

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide (CID 24640994) is 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(I)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide?
The InChIKey is ABVBJYDSKRCZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FIN2O3S/c19-16-3-1-2-4-17(16)26(24,25)22-11-9-13(10-12-22)18(23)21-15-7-5-14(20)6-8-15/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide has a molecular weight of 488.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24640994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).