1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene

C15H16O5S — CID 132609518

IUPAC1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C15H16O5S/c1-18-11-4-7-13(8-5-11)21(16,17)15-10-12(19-2)6-9-14(15)20-3/h4-10H,1-3H3
InChIKeyBPZRKTLTZGBREQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.55
Rot. Bonds5

About 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene

1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene (PubChem CID 132609518) has the molecular formula C15H16O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
PubChem CID132609518
Molecular FormulaC15H16O5S
Molecular Weight308.36 g/mol
Exact Mass308.07
IUPAC Name1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C15H16O5S/c1-18-11-4-7-13(8-5-11)21(16,17)15-10-12(19-2)6-9-14(15)20-3/h4-10H,1-3H3
InChIKeyBPZRKTLTZGBREQ-UHFFFAOYSA-N
XLogP2.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
CID 132609514
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
ethyl 2,5-dimethoxybenzenesulfonate
CID 164678093
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
4-(4-methoxyphenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312060
2-[4-(4-methoxyphenyl)phenoxy]-5-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonylbenzenesulfonic acid
CID 58185878
(2-chlorophenyl) 2,5-dimethoxybenzenesulfonate
CID 172894052
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene?
The IUPAC name of 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene (CID 132609518) is 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene.
What is the SMILES notation for 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene?
The canonical SMILES for 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene is COc1ccc(S(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene?
The InChIKey is BPZRKTLTZGBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5S/c1-18-11-4-7-13(8-5-11)21(16,17)15-10-12(19-2)6-9-14(15)20-3/h4-10H,1-3H3.
What are the key properties of 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene?
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene has a molecular weight of 308.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 132609518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).