5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide

C10H10ClIN4O2S — CID 107605475

IUPAC5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H10ClIN4O2S/c1-16-5-14-9(13)10(16)19(17,18)15-8-3-2-6(12)4-7(8)11/h2-5,15H,13H2,1H3
InChIKeyAWQJPNOEKKINBW-UHFFFAOYSA-N
MW412.64 g/mol
LogP2.06
Rot. Bonds3

About 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide (PubChem CID 107605475) has the molecular formula C10H10ClIN4O2S and a molecular weight of 412.64 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide
PubChem CID107605475
Molecular FormulaC10H10ClIN4O2S
Molecular Weight412.64 g/mol
Exact Mass411.93
IUPAC Name5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C10H10ClIN4O2S/c1-16-5-14-9(13)10(16)19(17,18)15-8-3-2-6(12)4-7(8)11/h2-5,15H,13H2,1H3
InChIKeyAWQJPNOEKKINBW-UHFFFAOYSA-N
XLogP2.06
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.64
LogP ≤ 52.06
H-Bond Donors ≤ 52
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 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide (CID 107605475) is 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is AWQJPNOEKKINBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN4O2S/c1-16-5-14-9(13)10(16)19(17,18)15-8-3-2-6(12)4-7(8)11/h2-5,15H,13H2,1H3.
What are the key properties of 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 412.64 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4-iodophenyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107605475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).