2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide

C17H13ClIN3O3S — CID 155116564

IUPAC2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2I)nc1-c1ccccc1Cl
InChIInChI=1S/C17H13ClIN3O3S/c1-22-10-14(20-16(22)11-6-2-3-7-12(11)18)17(23)21-26(24,25)15-9-5-4-8-13(15)19/h2-10H,1H3,(H,21,23)
InChIKeySUIHSPKIOBPZSW-UHFFFAOYSA-N
MW501.73 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide

2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide (PubChem CID 155116564) has the molecular formula C17H13ClIN3O3S and a molecular weight of 501.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
PubChem CID155116564
Molecular FormulaC17H13ClIN3O3S
Molecular Weight501.73 g/mol
Exact Mass500.94
IUPAC Name2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2I)nc1-c1ccccc1Cl
InChIInChI=1S/C17H13ClIN3O3S/c1-22-10-14(20-16(22)11-6-2-3-7-12(11)18)17(23)21-26(24,25)15-9-5-4-8-13(15)19/h2-10H,1H3,(H,21,23)
InChIKeySUIHSPKIOBPZSW-UHFFFAOYSA-N
XLogP3.46
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide (CID 155116564) is 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2ccccc2I)nc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
The InChIKey is SUIHSPKIOBPZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClIN3O3S/c1-22-10-14(20-16(22)11-6-2-3-7-12(11)18)17(23)21-26(24,25)15-9-5-4-8-13(15)19/h2-10H,1H3,(H,21,23).
What are the key properties of 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide?
2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide has a molecular weight of 501.73 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).