2-(2-chlorophenyl)sulfonylethyl formate

C9H9ClO4S — CID 19697051

IUPAC2-(2-chlorophenyl)sulfonylethyl formate
SMILESO=COCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO4S/c10-8-3-1-2-4-9(8)15(12,13)6-5-14-7-11/h1-4,7H,5-6H2
InChIKeyVTUZOSOVFBQAER-UHFFFAOYSA-N
MW248.69 g/mol
LogP1.29
Rot. Bonds5

About 2-(2-chlorophenyl)sulfonylethyl formate

2-(2-chlorophenyl)sulfonylethyl formate (PubChem CID 19697051) has the molecular formula C9H9ClO4S and a molecular weight of 248.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonylethyl formate.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonylethyl formate
PubChem CID19697051
Molecular FormulaC9H9ClO4S
Molecular Weight248.69 g/mol
Exact Mass247.99
IUPAC Name2-(2-chlorophenyl)sulfonylethyl formate
SMILESO=COCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H9ClO4S/c10-8-3-1-2-4-9(8)15(12,13)6-5-14-7-11/h1-4,7H,5-6H2
InChIKeyVTUZOSOVFBQAER-UHFFFAOYSA-N
XLogP1.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
CID 139004687
2-butoxy-N-[2-(2-chlorophenyl)sulfonylethyl]ethanamine
CID 106512607
methyl 4-(2-chlorophenyl)sulfonylbutanoate
CID 43378385
1-(3-azidopropylsulfonyl)-2-chlorobenzene
CID 55138385
N-[2-(2-chlorophenyl)sulfonylethyl]-4-methylpentan-1-amine
CID 106512674
6-(2-chlorophenyl)sulfonylhexan-3-one
CID 106807675
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
1,2-dichlorobenzene;prop-2-enyl formate
CID 174878144
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-2-chlorobenzene
CID 64757505
1-chloro-2-(nitromethylsulfonyl)benzene
CID 19875027
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
3-(2,6-dichlorophenyl)propyl formate
CID 91575611

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonylethyl formate?
The IUPAC name of 2-(2-chlorophenyl)sulfonylethyl formate (CID 19697051) is 2-(2-chlorophenyl)sulfonylethyl formate.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonylethyl formate?
The canonical SMILES for 2-(2-chlorophenyl)sulfonylethyl formate is O=COCCS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfonylethyl formate?
The InChIKey is VTUZOSOVFBQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4S/c10-8-3-1-2-4-9(8)15(12,13)6-5-14-7-11/h1-4,7H,5-6H2.
What are the key properties of 2-(2-chlorophenyl)sulfonylethyl formate?
2-(2-chlorophenyl)sulfonylethyl formate has a molecular weight of 248.69 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonylethyl formate is sourced from PubChem (CID 19697051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).