2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene

C21H20O5S — CID 90324050

IUPAC2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1
InChIInChI=1S/C21H20O5S/c1-15-4-9-18(10-5-15)27(22,23)19-11-6-16(7-12-19)26-20-13-8-17(24-2)14-21(20)25-3/h4-14H,1-3H3
InChIKeyAQRJDHBOIFCQTL-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.64
Rot. Bonds6

About 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene

2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene (PubChem CID 90324050) has the molecular formula C21H20O5S and a molecular weight of 384.45 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
PubChem CID90324050
Molecular FormulaC21H20O5S
Molecular Weight384.45 g/mol
Exact Mass384.10
IUPAC Name2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1
InChIInChI=1S/C21H20O5S/c1-15-4-9-18(10-5-15)27(22,23)19-11-6-16(7-12-19)26-20-13-8-17(24-2)14-21(20)25-3/h4-14H,1-3H3
InChIKeyAQRJDHBOIFCQTL-UHFFFAOYSA-N
XLogP4.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158339825
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
2-methoxy-5-[4-(4-methylphenyl)sulfonylphenoxy]benzoic acid
CID 130396430
5-(4-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylphenoxy]benzenesulfonic acid
CID 135215271
4-[2-[4-[4-[4-[4-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxyphenoxy]phenyl]sulfonylphenoxy]-3-methoxyphenyl]propan-2-yl]-1,2-dimethoxybenzene
CID 164841717
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
2,5-bis[4-(4-methylphenyl)sulfonylphenoxy]benzenesulfonic acid
CID 58944105
(4-methoxyphenyl)-methylidene-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-oxo-λ6-sulfane
CID 144623140
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
The IUPAC name of 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene (CID 90324050) is 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene is COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
The InChIKey is AQRJDHBOIFCQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5S/c1-15-4-9-18(10-5-15)27(22,23)19-11-6-16(7-12-19)26-20-13-8-17(24-2)14-21(20)25-3/h4-14H,1-3H3.
What are the key properties of 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene?
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene has a molecular weight of 384.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene is sourced from PubChem (CID 90324050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).