4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide

C14H10Cl2N4O2S — CID 10981473

IUPAC4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H10Cl2N4O2S/c15-12-6-1-9(7-18-12)13-14(16)19-8-20(13)10-2-4-11(5-3-10)23(17,21)22/h1-8H,(H2,17,21,22)
InChIKeyXOOYTUZPZGWGDX-UHFFFAOYSA-N
MW369.23 g/mol
LogP2.89
Rot. Bonds3

About 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide

4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10981473) has the molecular formula C14H10Cl2N4O2S and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10981473
Molecular FormulaC14H10Cl2N4O2S
Molecular Weight369.23 g/mol
Exact Mass367.99
IUPAC Name4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H10Cl2N4O2S/c15-12-6-1-9(7-18-12)13-14(16)19-8-20(13)10-2-4-11(5-3-10)23(17,21)22/h1-8H,(H2,17,21,22)
InChIKeyXOOYTUZPZGWGDX-UHFFFAOYSA-N
XLogP2.89
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide (CID 10981473) is 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is XOOYTUZPZGWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2S/c15-12-6-1-9(7-18-12)13-14(16)19-8-20(13)10-2-4-11(5-3-10)23(17,21)22/h1-8H,(H2,17,21,22).
What are the key properties of 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide?
4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 369.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-(6-chloro-3-pyridinyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10981473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).