[4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate

C19H17ClN2O5S — CID 11015325

IUPAC[4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate
SMILESCOc1ccc(-c2cncn2-c2ccc(S(=O)(=O)COC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H17ClN2O5S/c1-13(23)27-12-28(24,25)16-6-4-15(5-7-16)22-11-21-10-18(22)14-3-8-19(26-2)17(20)9-14/h3-11H,12H2,1-2H3
InChIKeyFQDLFLZOWMGIKG-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.50
Rot. Bonds6

About [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate

[4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate (PubChem CID 11015325) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate.

Molecular Properties

Compound Name[4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate
PubChem CID11015325
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC Name[4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate
SMILESCOc1ccc(-c2cncn2-c2ccc(S(=O)(=O)COC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H17ClN2O5S/c1-13(23)27-12-28(24,25)16-6-4-15(5-7-16)22-11-21-10-18(22)14-3-8-19(26-2)17(20)9-14/h3-11H,12H2,1-2H3
InChIKeyFQDLFLZOWMGIKG-UHFFFAOYSA-N
XLogP3.50
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate?
The IUPAC name of [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate (CID 11015325) is [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate.
What is the SMILES notation for [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate?
The canonical SMILES for [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate is COc1ccc(-c2cncn2-c2ccc(S(=O)(=O)COC(C)=O)cc2)cc1Cl.
What is the InChIKey of [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate?
The InChIKey is FQDLFLZOWMGIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c1-13(23)27-12-28(24,25)16-6-4-15(5-7-16)22-11-21-10-18(22)14-3-8-19(26-2)17(20)9-14/h3-11H,12H2,1-2H3.
What are the key properties of [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate?
[4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate has a molecular weight of 420.87 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonylmethyl acetate is sourced from PubChem (CID 11015325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).