[4-(benzenesulfonyl)-2-formyloxyphenyl] formate

C14H10O6S — CID 129289359

IUPAC[4-(benzenesulfonyl)-2-formyloxyphenyl] formate
SMILESO=COc1ccc(S(=O)(=O)c2ccccc2)cc1OC=O
InChIInChI=1S/C14H10O6S/c15-9-19-13-7-6-12(8-14(13)20-10-16)21(17,18)11-4-2-1-3-5-11/h1-10H
InChIKeyPFGMTZJNHAJLMR-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.59
Rot. Bonds6

About [4-(benzenesulfonyl)-2-formyloxyphenyl] formate

[4-(benzenesulfonyl)-2-formyloxyphenyl] formate (PubChem CID 129289359) has the molecular formula C14H10O6S and a molecular weight of 306.30 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-2-formyloxyphenyl] formate.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-2-formyloxyphenyl] formate
PubChem CID129289359
Molecular FormulaC14H10O6S
Molecular Weight306.30 g/mol
Exact Mass306.02
IUPAC Name[4-(benzenesulfonyl)-2-formyloxyphenyl] formate
SMILESO=COc1ccc(S(=O)(=O)c2ccccc2)cc1OC=O
InChIInChI=1S/C14H10O6S/c15-9-19-13-7-6-12(8-14(13)20-10-16)21(17,18)11-4-2-1-3-5-11/h1-10H
InChIKeyPFGMTZJNHAJLMR-UHFFFAOYSA-N
XLogP1.59
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(benzenesulfonyl)-1H-indol-3-yl] formate
CID 174464027
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
2,4-bis(benzenesulfonyl)-1-propan-2-yloxybenzene
CID 19349290
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
benzenesulfonylbenzene;formonitrile
CID 174749173
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene
CID 54191170

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-2-formyloxyphenyl] formate?
The IUPAC name of [4-(benzenesulfonyl)-2-formyloxyphenyl] formate (CID 129289359) is [4-(benzenesulfonyl)-2-formyloxyphenyl] formate.
What is the SMILES notation for [4-(benzenesulfonyl)-2-formyloxyphenyl] formate?
The canonical SMILES for [4-(benzenesulfonyl)-2-formyloxyphenyl] formate is O=COc1ccc(S(=O)(=O)c2ccccc2)cc1OC=O.
What is the InChIKey of [4-(benzenesulfonyl)-2-formyloxyphenyl] formate?
The InChIKey is PFGMTZJNHAJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6S/c15-9-19-13-7-6-12(8-14(13)20-10-16)21(17,18)11-4-2-1-3-5-11/h1-10H.
What are the key properties of [4-(benzenesulfonyl)-2-formyloxyphenyl] formate?
[4-(benzenesulfonyl)-2-formyloxyphenyl] formate has a molecular weight of 306.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-2-formyloxyphenyl] formate is sourced from PubChem (CID 129289359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).