(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide

C15H21ClN2O2S — CID 106607958

IUPAC(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-2-18(12-15-4-3-10-17-15)21(19,20)11-9-13-5-7-14(16)8-6-13/h5-9,11,15,17H,2-4,10,12H2,1H3/b11-9+
InChIKeyPEKYXUIPDCRHAP-PKNBQFBNSA-N
MW328.87 g/mol
LogP2.71
Rot. Bonds6

About (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide (PubChem CID 106607958) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide
PubChem CID106607958
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c1-2-18(12-15-4-3-10-17-15)21(19,20)11-9-13-5-7-14(16)8-6-13/h5-9,11,15,17H,2-4,10,12H2,1H3/b11-9+
InChIKeyPEKYXUIPDCRHAP-PKNBQFBNSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide 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

(E)-2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylethenesulfonamide
CID 60807810
(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787
4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609514
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106608147
3-chloro-N-ethyl-2-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630366
3-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 76946339

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide (CID 106607958) is (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide is CCN(CC1CCCN1)S(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide?
The InChIKey is PEKYXUIPDCRHAP-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-2-18(12-15-4-3-10-17-15)21(19,20)11-9-13-5-7-14(16)8-6-13/h5-9,11,15,17H,2-4,10,12H2,1H3/b11-9+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide has a molecular weight of 328.87 g/mol, XLogP of 2.71, 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-ethyl-N-(pyrrolidin-2-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 106607958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).