N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide

C11H12IN3O2S — CID 5177367

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc(I)cc1
InChIInChI=1S/C11H12IN3O2S/c12-9-1-3-11(4-2-9)18(16,17)15-6-5-10-7-13-8-14-10/h1-4,7-8,15H,5-6H2,(H,13,14)
InChIKeyWXTXLGABQWYDRT-UHFFFAOYSA-N
MW377.21 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide (PubChem CID 5177367) has the molecular formula C11H12IN3O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide
PubChem CID5177367
Molecular FormulaC11H12IN3O2S
Molecular Weight377.21 g/mol
Exact Mass376.97
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc(I)cc1
InChIInChI=1S/C11H12IN3O2S/c12-9-1-3-11(4-2-9)18(16,17)15-6-5-10-7-13-8-14-10/h1-4,7-8,15H,5-6H2,(H,13,14)
InChIKeyWXTXLGABQWYDRT-UHFFFAOYSA-N
XLogP1.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide (CID 5177367) is N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1ccc(I)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide?
The InChIKey is WXTXLGABQWYDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O2S/c12-9-1-3-11(4-2-9)18(16,17)15-6-5-10-7-13-8-14-10/h1-4,7-8,15H,5-6H2,(H,13,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide has a molecular weight of 377.21 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 5177367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).