4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene

C16H18O6S — CID 650478

IUPAC4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C16H18O6S/c1-19-13-7-5-11(9-15(13)21-3)23(17,18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3
InChIKeyGDKBAIOAVDOQES-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.55
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene

4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene (PubChem CID 650478) has the molecular formula C16H18O6S and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene
PubChem CID650478
Molecular FormulaC16H18O6S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Name4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C16H18O6S/c1-19-13-7-5-11(9-15(13)21-3)23(17,18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3
InChIKeyGDKBAIOAVDOQES-UHFFFAOYSA-N
XLogP2.55
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
2,2'-(Sulphonylbis(4,1-phenyleneoxy))bisethanol
CID 95071
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
3-(4-Methoxy-benzenesulfonyl)-cyclohexanethiol
CID 19366816
2-[[4-[4-(Oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
CID 2831290
(4-Methoxyphenyl) 3,4,5-trimethoxybenzenesulfonate
CID 10193654
Bis(4-methoxyphenyl) sulfone
CID 238615
Bis(4-methoxyphenyl) sulfoxide
CID 238614
3,4-Dimethoxybenzene-1-sulfonamide
CID 679488
3,4-Dimethoxybenzenesulfonyl chloride
CID 2734183
[(3,4-Dimethoxyphenyl)sulfonyl](2-phenylthioethyl)amine
CID 2281855
1,2,3-Trimethoxy-5-(4-methoxyphenyl)sulfinylbenzene
CID 44128108

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene?
The IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene (CID 650478) is 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene is COc1ccc(S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene?
The InChIKey is GDKBAIOAVDOQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6S/c1-19-13-7-5-11(9-15(13)21-3)23(17,18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene?
4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene has a molecular weight of 338.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)sulfonyl-1,2-dimethoxybenzene is sourced from PubChem (CID 650478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).