formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate

C16H16O6S — CID 143113216

IUPACformaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
SMILESC=O.COC(=O)c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H14O5S.CH2O/c1-19-12-5-9-14(10-6-12)21(17,18)13-7-3-11(4-8-13)15(16)20-2;1-2/h3-10H,1-2H3;1H2
InChIKeyCJXSYKFAPKAKJN-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.13
Rot. Bonds4

About formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate

formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate (PubChem CID 143113216) has the molecular formula C16H16O6S and a molecular weight of 336.37 g/mol. Its IUPAC name is formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate.

Molecular Properties

Compound Nameformaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
PubChem CID143113216
Molecular FormulaC16H16O6S
Molecular Weight336.37 g/mol
Exact Mass336.07
IUPAC Nameformaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
SMILESC=O.COC(=O)c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H14O5S.CH2O/c1-19-12-5-9-14(10-6-12)21(17,18)13-7-3-11(4-8-13)15(16)20-2;1-2/h3-10H,1-2H3;1H2
InChIKeyCJXSYKFAPKAKJN-UHFFFAOYSA-N
XLogP2.13
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(4-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 4-methoxybenzoate
CID 2379395
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
formic acid;methyl 4-methoxybenzoate
CID 159779883
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate?
The IUPAC name of formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate (CID 143113216) is formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate.
What is the SMILES notation for formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate?
The canonical SMILES for formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate is C=O.COC(=O)c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate?
The InChIKey is CJXSYKFAPKAKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5S.CH2O/c1-19-12-5-9-14(10-6-12)21(17,18)13-7-3-11(4-8-13)15(16)20-2;1-2/h3-10H,1-2H3;1H2.
What are the key properties of formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate?
formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate has a molecular weight of 336.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate is sourced from PubChem (CID 143113216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).