methyl (4-ethoxyphenyl)sulfonylformate

C10H12O5S — CID 117037047

IUPACmethyl (4-ethoxyphenyl)sulfonylformate
SMILESCCOc1ccc(S(=O)(=O)C(=O)OC)cc1
InChIInChI=1S/C10H12O5S/c1-3-15-8-4-6-9(7-5-8)16(12,13)10(11)14-2/h4-7H,3H2,1-2H3
InChIKeyQDTSAWQIOKQOQL-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.63
Rot. Bonds3

About methyl (4-ethoxyphenyl)sulfonylformate

methyl (4-ethoxyphenyl)sulfonylformate (PubChem CID 117037047) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl (4-ethoxyphenyl)sulfonylformate.

Molecular Properties

Compound Namemethyl (4-ethoxyphenyl)sulfonylformate
PubChem CID117037047
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Namemethyl (4-ethoxyphenyl)sulfonylformate
SMILESCCOc1ccc(S(=O)(=O)C(=O)OC)cc1
InChIInChI=1S/C10H12O5S/c1-3-15-8-4-6-9(7-5-8)16(12,13)10(11)14-2/h4-7H,3H2,1-2H3
InChIKeyQDTSAWQIOKQOQL-UHFFFAOYSA-N
XLogP1.63
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl)sulfonylformamide
CID 117038031
4-ethoxybenzenesulfonic acid
CID 7013020
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
benzene;1-(4-ethoxyphenyl)sulfonyl-4-methylbenzene;[4-(4-ethoxyphenyl)sulfonylphenyl] methyl carbonate
CID 159893147
methyl (Z)-2-(4-tert-butylphenyl)sulfonyl-3-(4-ethoxyanilino)prop-2-enoate
CID 75527582
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171

Frequently Asked Questions

What is the IUPAC name of methyl (4-ethoxyphenyl)sulfonylformate?
The IUPAC name of methyl (4-ethoxyphenyl)sulfonylformate (CID 117037047) is methyl (4-ethoxyphenyl)sulfonylformate.
What is the SMILES notation for methyl (4-ethoxyphenyl)sulfonylformate?
The canonical SMILES for methyl (4-ethoxyphenyl)sulfonylformate is CCOc1ccc(S(=O)(=O)C(=O)OC)cc1.
What is the InChIKey of methyl (4-ethoxyphenyl)sulfonylformate?
The InChIKey is QDTSAWQIOKQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-3-15-8-4-6-9(7-5-8)16(12,13)10(11)14-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl (4-ethoxyphenyl)sulfonylformate?
methyl (4-ethoxyphenyl)sulfonylformate has a molecular weight of 244.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4-ethoxyphenyl)sulfonylformate is sourced from PubChem (CID 117037047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).