ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate

C11H13ClN2O4S — CID 72685063

IUPACethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c1-2-18-11(15)13-14-19(16,17)8-7-9-5-3-4-6-10(9)12/h3-8,14H,2H2,1H3,(H,13,15)
InChIKeyZSQNEPSUFKGTOR-UHFFFAOYSA-N
MW304.76 g/mol
LogP1.89
Rot. Bonds5

About ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate

ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate (PubChem CID 72685063) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.76 g/mol. Its IUPAC name is ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate
PubChem CID72685063
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.76 g/mol
Exact Mass304.03
IUPAC Nameethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O4S/c1-2-18-11(15)13-14-19(16,17)8-7-9-5-3-4-6-10(9)12/h3-8,14H,2H2,1H3,(H,13,15)
InChIKeyZSQNEPSUFKGTOR-UHFFFAOYSA-N
XLogP1.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-chlorophenyl)ethenylsulfonyl]-2-hydroxybenzohydrazide
CID 72685066
methyl 2-[2-(2-chlorophenyl)ethenylsulfonylamino]-4-methylpentanoate
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ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
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CID 47309506
ethyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 692627
1,2-dichlorobenzene;ethyl N-ethylcarbamate
CID 174679223
ethyl (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145
ethyl N-[[(E)-2-(2-nitrophenyl)ethenyl]amino]carbamate
CID 117059633
ethyl 6-(2-chlorophenyl)-3-ethyl-2,2-dimethylhex-5-enoate
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ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate?
The IUPAC name of ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate (CID 72685063) is ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate.
What is the SMILES notation for ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate?
The canonical SMILES for ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate is CCOC(=O)NNS(=O)(=O)C=Cc1ccccc1Cl.
What is the InChIKey of ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate?
The InChIKey is ZSQNEPSUFKGTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c1-2-18-11(15)13-14-19(16,17)8-7-9-5-3-4-6-10(9)12/h3-8,14H,2H2,1H3,(H,13,15).
What are the key properties of ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate?
ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate has a molecular weight of 304.76 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate is sourced from PubChem (CID 72685063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).