4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide

C21H24ClN3O2S — CID 22997947

IUPAC4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide
SMILESCCCCCCc1cn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H24ClN3O2S/c1-2-3-4-5-6-18-15-25(19-11-13-20(14-12-19)28(23,26)27)21(24-18)16-7-9-17(22)10-8-16/h7-15H,2-6H2,1H3,(H2,23,26,27)
InChIKeyKVDBNGLVBZRHKJ-UHFFFAOYSA-N
MW417.96 g/mol
LogP4.96
Rot. Bonds8

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

4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide (PubChem CID 22997947) has the molecular formula C21H24ClN3O2S and a molecular weight of 417.96 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide
PubChem CID22997947
Molecular FormulaC21H24ClN3O2S
Molecular Weight417.96 g/mol
Exact Mass417.13
IUPAC Name4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide
SMILESCCCCCCc1cn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H24ClN3O2S/c1-2-3-4-5-6-18-15-25(19-11-13-20(14-12-19)28(23,26)27)21(24-18)16-7-9-17(22)10-8-16/h7-15H,2-6H2,1H3,(H2,23,26,27)
InChIKeyKVDBNGLVBZRHKJ-UHFFFAOYSA-N
XLogP4.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide (CID 22997947) is 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide is CCCCCCc1cn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide?
The InChIKey is KVDBNGLVBZRHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S/c1-2-3-4-5-6-18-15-25(19-11-13-20(14-12-19)28(23,26)27)21(24-18)16-7-9-17(22)10-8-16/h7-15H,2-6H2,1H3,(H2,23,26,27).
What are the key properties of 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide?
4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide has a molecular weight of 417.96 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-hexylimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22997947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).