2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide

C10H11IN4O2S — CID 65098522

IUPAC2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2ccc(I)cn2)[nH]1
InChIInChI=1S/C10H11IN4O2S/c1-2-8-13-6-10(14-8)18(16,17)15-9-4-3-7(11)5-12-9/h3-6H,2H2,1H3,(H,12,15)(H,13,14)
InChIKeyWINVMWXCKKKKIP-UHFFFAOYSA-N
MW378.20 g/mol
LogP1.77
Rot. Bonds4

About 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide

2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide (PubChem CID 65098522) has the molecular formula C10H11IN4O2S and a molecular weight of 378.20 g/mol. Its IUPAC name is 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
PubChem CID65098522
Molecular FormulaC10H11IN4O2S
Molecular Weight378.20 g/mol
Exact Mass377.96
IUPAC Name2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2ccc(I)cn2)[nH]1
InChIInChI=1S/C10H11IN4O2S/c1-2-8-13-6-10(14-8)18(16,17)15-9-4-3-7(11)5-12-9/h3-6H,2H2,1H3,(H,12,15)(H,13,14)
InChIKeyWINVMWXCKKKKIP-UHFFFAOYSA-N
XLogP1.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide (CID 65098522) is 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2ccc(I)cn2)[nH]1.
What is the InChIKey of 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide?
The InChIKey is WINVMWXCKKKKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O2S/c1-2-8-13-6-10(14-8)18(16,17)15-9-4-3-7(11)5-12-9/h3-6H,2H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide?
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide has a molecular weight of 378.20 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 65098522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).