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

C24H22ClN3O4S — CID 19963383

IUPAC4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(COCc2cn(-c3ccc(Cl)cc3)c(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-31-22-10-2-17(3-11-22)15-32-16-20-14-28(21-8-6-19(25)7-9-21)24(27-20)18-4-12-23(13-5-18)33(26,29)30/h2-14H,15-16H2,1H3,(H2,26,29,30)
InChIKeyZIOVEZUMMQZHMF-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.57
Rot. Bonds8

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

4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide (PubChem CID 19963383) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide
PubChem CID19963383
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(COCc2cn(-c3ccc(Cl)cc3)c(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-31-22-10-2-17(3-11-22)15-32-16-20-14-28(21-8-6-19(25)7-9-21)24(27-20)18-4-12-23(13-5-18)33(26,29)30/h2-14H,15-16H2,1H3,(H2,26,29,30)
InChIKeyZIOVEZUMMQZHMF-UHFFFAOYSA-N
XLogP4.57
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide (CID 19963383) is 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide is COc1ccc(COCc2cn(-c3ccc(Cl)cc3)c(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide?
The InChIKey is ZIOVEZUMMQZHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-31-22-10-2-17(3-11-22)15-32-16-20-14-28(21-8-6-19(25)7-9-21)24(27-20)18-4-12-23(13-5-18)33(26,29)30/h2-14H,15-16H2,1H3,(H2,26,29,30).
What are the key properties of 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide?
4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide has a molecular weight of 483.98 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-4-[(4-methoxyphenyl)methoxymethyl]imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 19963383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).