bis(4-methylsulfonylphenyl) carbonate

C15H14O7S2 — CID 139898896

IUPACbis(4-methylsulfonylphenyl) carbonate
SMILESCS(=O)(=O)c1ccc(OC(=O)Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14O7S2/c1-23(17,18)13-7-3-11(4-8-13)21-15(16)22-12-5-9-14(10-6-12)24(2,19)20/h3-10H,1-2H3
InChIKeyMBJLEFUYYOWTNJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.07
Rot. Bonds4

About bis(4-methylsulfonylphenyl) carbonate

bis(4-methylsulfonylphenyl) carbonate (PubChem CID 139898896) has the molecular formula C15H14O7S2 and a molecular weight of 370.40 g/mol. Its IUPAC name is bis(4-methylsulfonylphenyl) carbonate.

Molecular Properties

Compound Namebis(4-methylsulfonylphenyl) carbonate
PubChem CID139898896
Molecular FormulaC15H14O7S2
Molecular Weight370.40 g/mol
Exact Mass370.02
IUPAC Namebis(4-methylsulfonylphenyl) carbonate
SMILESCS(=O)(=O)c1ccc(OC(=O)Oc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H14O7S2/c1-23(17,18)13-7-3-11(4-8-13)21-15(16)22-12-5-9-14(10-6-12)24(2,19)20/h3-10H,1-2H3
InChIKeyMBJLEFUYYOWTNJ-UHFFFAOYSA-N
XLogP2.07
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-methylsulfonylphenyl) prop-2-enoate
CID 89374754
4-(4-sulfophenoxy)carbonyloxybenzenesulfonic acid
CID 57218544
(4-bromophenyl) 4-methylsulfonylbenzoate
CID 26096451
(4-methylsulfonylphenyl) 2-(4-methoxyphenyl)-2-oxoacetate
CID 58981556
bis(4-methylphenyl) carbonate;ethane
CID 145416039
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonylbenzene
CID 70933188
N-(4-methylsulfonylphenoxy)methanamine
CID 140501519
[dimethyl-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-λ4-sulfanyl] methanesulfonate
CID 139649411
(3,4-dimethylphenyl) 4-methylsulfonylbenzoate
CID 2671374
N-methyl-3-(4-methylsulfonylphenoxy)-3-phenylprop-2-en-1-amine
CID 54162034
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
1-(4-fluorophenyl)-2-(4-methylsulfonylphenoxy)propan-1-one
CID 51174584

Frequently Asked Questions

What is the IUPAC name of bis(4-methylsulfonylphenyl) carbonate?
The IUPAC name of bis(4-methylsulfonylphenyl) carbonate (CID 139898896) is bis(4-methylsulfonylphenyl) carbonate.
What is the SMILES notation for bis(4-methylsulfonylphenyl) carbonate?
The canonical SMILES for bis(4-methylsulfonylphenyl) carbonate is CS(=O)(=O)c1ccc(OC(=O)Oc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of bis(4-methylsulfonylphenyl) carbonate?
The InChIKey is MBJLEFUYYOWTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O7S2/c1-23(17,18)13-7-3-11(4-8-13)21-15(16)22-12-5-9-14(10-6-12)24(2,19)20/h3-10H,1-2H3.
What are the key properties of bis(4-methylsulfonylphenyl) carbonate?
bis(4-methylsulfonylphenyl) carbonate has a molecular weight of 370.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylsulfonylphenyl) carbonate is sourced from PubChem (CID 139898896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).