4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide

C21H15Cl2N3O2S — CID 22998055

IUPAC4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15Cl2N3O2S/c22-16-5-1-14(2-6-16)20-13-26(18-9-11-19(12-10-18)29(24,27)28)21(25-20)15-3-7-17(23)8-4-15/h1-13H,(H2,24,27,28)
InChIKeyVAWOUTCSGCVEMN-UHFFFAOYSA-N
MW444.34 g/mol
LogP5.16
Rot. Bonds4

About 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide

4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22998055) has the molecular formula C21H15Cl2N3O2S and a molecular weight of 444.34 g/mol. Its IUPAC name is 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22998055
Molecular FormulaC21H15Cl2N3O2S
Molecular Weight444.34 g/mol
Exact Mass443.03
IUPAC Name4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15Cl2N3O2S/c22-16-5-1-14(2-6-16)20-13-26(18-9-11-19(12-10-18)29(24,27)28)21(25-20)15-3-7-17(23)8-4-15/h1-13H,(H2,24,27,28)
InChIKeyVAWOUTCSGCVEMN-UHFFFAOYSA-N
XLogP5.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.34
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide (CID 22998055) is 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is VAWOUTCSGCVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2S/c22-16-5-1-14(2-6-16)20-13-26(18-9-11-19(12-10-18)29(24,27)28)21(25-20)15-3-7-17(23)8-4-15/h1-13H,(H2,24,27,28).
What are the key properties of 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide?
4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 444.34 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22998055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).