ethyl N-(2-chlorophenyl)sulfonylcarbamate

C9H10ClNO4S — CID 2819408

IUPACethyl N-(2-chlorophenyl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO4S/c1-2-15-9(12)11-16(13,14)8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyIZTGISMEDBVWTQ-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.77
Rot. Bonds3

About ethyl N-(2-chlorophenyl)sulfonylcarbamate

ethyl N-(2-chlorophenyl)sulfonylcarbamate (PubChem CID 2819408) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is ethyl N-(2-chlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-chlorophenyl)sulfonylcarbamate
PubChem CID2819408
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Nameethyl N-(2-chlorophenyl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO4S/c1-2-15-9(12)11-16(13,14)8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyIZTGISMEDBVWTQ-UHFFFAOYSA-N
XLogP1.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-chlorophenyl)sulfonylcarbamate?
The IUPAC name of ethyl N-(2-chlorophenyl)sulfonylcarbamate (CID 2819408) is ethyl N-(2-chlorophenyl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-(2-chlorophenyl)sulfonylcarbamate?
The canonical SMILES for ethyl N-(2-chlorophenyl)sulfonylcarbamate is CCOC(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of ethyl N-(2-chlorophenyl)sulfonylcarbamate?
The InChIKey is IZTGISMEDBVWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-2-15-9(12)11-16(13,14)8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl N-(2-chlorophenyl)sulfonylcarbamate?
ethyl N-(2-chlorophenyl)sulfonylcarbamate has a molecular weight of 263.70 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 2819408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).