1,4-bis(2-methoxyethylsulfonyl)benzene

C12H18O6S2 — CID 121011835

IUPAC1,4-bis(2-methoxyethylsulfonyl)benzene
SMILESCOCCS(=O)(=O)c1ccc(S(=O)(=O)CCOC)cc1
InChIInChI=1S/C12H18O6S2/c1-17-7-9-19(13,14)11-3-5-12(6-4-11)20(15,16)10-8-18-2/h3-6H,7-10H2,1-2H3
InChIKeyFWSNDGCFPHSVMF-UHFFFAOYSA-N
MW322.40 g/mol
LogP0.53
Rot. Bonds8

About 1,4-bis(2-methoxyethylsulfonyl)benzene

1,4-bis(2-methoxyethylsulfonyl)benzene (PubChem CID 121011835) has the molecular formula C12H18O6S2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1,4-bis(2-methoxyethylsulfonyl)benzene.

Molecular Properties

Compound Name1,4-bis(2-methoxyethylsulfonyl)benzene
PubChem CID121011835
Molecular FormulaC12H18O6S2
Molecular Weight322.40 g/mol
Exact Mass322.05
IUPAC Name1,4-bis(2-methoxyethylsulfonyl)benzene
SMILESCOCCS(=O)(=O)c1ccc(S(=O)(=O)CCOC)cc1
InChIInChI=1S/C12H18O6S2/c1-17-7-9-19(13,14)11-3-5-12(6-4-11)20(15,16)10-8-18-2/h3-6H,7-10H2,1-2H3
InChIKeyFWSNDGCFPHSVMF-UHFFFAOYSA-N
XLogP0.53
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxyethylsulfonyl)phenyl]boronic acid
CID 67229169
ethane;1-(2-methoxyethylsulfonyl)-4-propan-2-ylbenzene
CID 145380405
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
1-fluoro-4-[2-(2-methoxyethoxy)ethylsulfonyl]benzene
CID 64716694
4-[2-(3-methoxypropoxy)ethylsulfonyl]aniline
CID 103182208
2-chloro-5-(2-methoxyethylsulfonyl)benzoic acid
CID 43141002
1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665964
3-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]butanoic acid
CID 119220935
N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
CID 103603052
ethane;1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665963
2-[4-[4-(3-methoxypropylsulfonyl)phenyl]phenyl]acetic acid
CID 58150647
2-[[4-(2-methoxyethylsulfonyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192904

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methoxyethylsulfonyl)benzene?
The IUPAC name of 1,4-bis(2-methoxyethylsulfonyl)benzene (CID 121011835) is 1,4-bis(2-methoxyethylsulfonyl)benzene.
What is the SMILES notation for 1,4-bis(2-methoxyethylsulfonyl)benzene?
The canonical SMILES for 1,4-bis(2-methoxyethylsulfonyl)benzene is COCCS(=O)(=O)c1ccc(S(=O)(=O)CCOC)cc1.
What is the InChIKey of 1,4-bis(2-methoxyethylsulfonyl)benzene?
The InChIKey is FWSNDGCFPHSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6S2/c1-17-7-9-19(13,14)11-3-5-12(6-4-11)20(15,16)10-8-18-2/h3-6H,7-10H2,1-2H3.
What are the key properties of 1,4-bis(2-methoxyethylsulfonyl)benzene?
1,4-bis(2-methoxyethylsulfonyl)benzene has a molecular weight of 322.40 g/mol, XLogP of 0.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methoxyethylsulfonyl)benzene is sourced from PubChem (CID 121011835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).