ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate

C11H11Cl2NO4S — CID 3090384

IUPACethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate
SMILESCCOC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11Cl2NO4S/c1-2-18-11(15)14-10(9(12)13)19(16,17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)
InChIKeyOTZMVXQQPARVFD-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.81
Rot. Bonds4

About ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate

ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate (PubChem CID 3090384) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate
PubChem CID3090384
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Nameethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate
SMILESCCOC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11Cl2NO4S/c1-2-18-11(15)14-10(9(12)13)19(16,17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)
InChIKeyOTZMVXQQPARVFD-UHFFFAOYSA-N
XLogP2.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl benzenesulfonylmethanimidate
CID 20849990
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
ethyl N-(anilinocarbamoyl)carbamate
CID 11020506
ethyl N-(3-phenylpropanoyl)carbamate
CID 141071661
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
CID 621078
ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
CID 18664309
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
ethyl N-(benzenecarboximidoyl)carbamate
CID 137321100
benzene;ethyl N-benzylcarbamate
CID 67715166

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate?
The IUPAC name of ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate (CID 3090384) is ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate.
What is the SMILES notation for ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate?
The canonical SMILES for ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate is CCOC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate?
The InChIKey is OTZMVXQQPARVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c1-2-18-11(15)14-10(9(12)13)19(16,17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate?
ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate has a molecular weight of 324.19 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]carbamate is sourced from PubChem (CID 3090384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).