(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide

C12H17ClN2O2S — CID 8716803

IUPAC(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
SMILESCN(C)CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-15(2)9-8-14-18(16,17)10-7-11-3-5-12(13)6-4-11/h3-7,10,14H,8-9H2,1-2H3/b10-7+
InChIKeyYOYOPECVAFFZHD-JXMROGBWSA-N
MW288.80 g/mol
LogP1.79
Rot. Bonds6

About (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide (PubChem CID 8716803) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
PubChem CID8716803
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
SMILESCN(C)CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c1-15(2)9-8-14-18(16,17)10-7-11-3-5-12(13)6-4-11/h3-7,10,14H,8-9H2,1-2H3/b10-7+
InChIKeyYOYOPECVAFFZHD-JXMROGBWSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide (CID 8716803) is (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide is CN(C)CCNS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide?
The InChIKey is YOYOPECVAFFZHD-JXMROGBWSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-15(2)9-8-14-18(16,17)10-7-11-3-5-12(13)6-4-11/h3-7,10,14H,8-9H2,1-2H3/b10-7+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide is sourced from PubChem (CID 8716803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).