1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide

C11H13IN2O3S — CID 164885708

IUPAC1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C11H13IN2O3S/c12-9-1-3-10(4-2-9)18(16,17)14-6-5-8(7-14)11(13)15/h1-4,8H,5-7H2,(H2,13,15)
InChIKeyZBPLBCQDDDZZBH-UHFFFAOYSA-N
MW380.21 g/mol
LogP0.79
Rot. Bonds3

About 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide

1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide (PubChem CID 164885708) has the molecular formula C11H13IN2O3S and a molecular weight of 380.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
PubChem CID164885708
Molecular FormulaC11H13IN2O3S
Molecular Weight380.21 g/mol
Exact Mass379.97
IUPAC Name1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C11H13IN2O3S/c12-9-1-3-10(4-2-9)18(16,17)14-6-5-8(7-14)11(13)15/h1-4,8H,5-7H2,(H2,13,15)
InChIKeyZBPLBCQDDDZZBH-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 50.79
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-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 67222791
(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 58293231
(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
CID 163464809
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-[4-(2-chloroethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43612626
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 126380948

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide (CID 164885708) is 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide is NC(=O)C1CCN(S(=O)(=O)c2ccc(I)cc2)C1.
What is the InChIKey of 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide?
The InChIKey is ZBPLBCQDDDZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3S/c12-9-1-3-10(4-2-9)18(16,17)14-6-5-8(7-14)11(13)15/h1-4,8H,5-7H2,(H2,13,15).
What are the key properties of 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide?
1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide has a molecular weight of 380.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)sulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164885708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).