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

C22H18ClN3O3S — CID 22997719

IUPAC4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-29-19-10-4-15(5-11-19)21-14-26(18-8-12-20(13-9-18)30(24,27)28)22(25-21)16-2-6-17(23)7-3-16/h2-14H,1H3,(H2,24,27,28)
InChIKeyIBPCVDHECBDXCD-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.52
Rot. Bonds5

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

4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22997719) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22997719
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-29-19-10-4-15(5-11-19)21-14-26(18-8-12-20(13-9-18)30(24,27)28)22(25-21)16-2-6-17(23)7-3-16/h2-14H,1H3,(H2,24,27,28)
InChIKeyIBPCVDHECBDXCD-UHFFFAOYSA-N
XLogP4.52
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide (CID 22997719) is 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide is COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is IBPCVDHECBDXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-29-19-10-4-15(5-11-19)21-14-26(18-8-12-20(13-9-18)30(24,27)28)22(25-21)16-2-6-17(23)7-3-16/h2-14H,1H3,(H2,24,27,28).
What are the key properties of 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22997719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).