(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide

C19H23ClN2O2S — CID 55353883

IUPAC(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)/C=C/c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C19H23ClN2O2S/c1-22(2)19(14-17-6-4-3-5-7-17)15-21-25(23,24)13-12-16-8-10-18(20)11-9-16/h3-13,19,21H,14-15H2,1-2H3/b13-12+
InChIKeyOPGKVVXPIWKGOS-OUKQBFOZSA-N
MW378.93 g/mol
LogP3.40
Rot. Bonds8

About (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide (PubChem CID 55353883) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide
PubChem CID55353883
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)/C=C/c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C19H23ClN2O2S/c1-22(2)19(14-17-6-4-3-5-7-17)15-21-25(23,24)13-12-16-8-10-18(20)11-9-16/h3-13,19,21H,14-15H2,1-2H3/b13-12+
InChIKeyOPGKVVXPIWKGOS-OUKQBFOZSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide (CID 55353883) is (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide is CN(C)C(CNS(=O)(=O)/C=C/c1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide?
The InChIKey is OPGKVVXPIWKGOS-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-22(2)19(14-17-6-4-3-5-7-17)15-21-25(23,24)13-12-16-8-10-18(20)11-9-16/h3-13,19,21H,14-15H2,1-2H3/b13-12+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide has a molecular weight of 378.93 g/mol, XLogP of 3.40, 8 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)-3-phenylpropyl]ethenesulfonamide is sourced from PubChem (CID 55353883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).