(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide

C18H22N2O2S — CID 58752965

IUPAC(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
SMILESCCN(CC)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-20(4-2)18-12-8-11-17(15-18)19-23(21,22)14-13-16-9-6-5-7-10-16/h5-15,19H,3-4H2,1-2H3/b14-13+
InChIKeyZMSGIAZXBJQNGY-BUHFOSPRSA-N
MW330.45 g/mol
LogP3.95
Rot. Bonds7

About (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide

(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide (PubChem CID 58752965) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
PubChem CID58752965
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
SMILESCCN(CC)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H22N2O2S/c1-3-20(4-2)18-12-8-11-17(15-18)19-23(21,22)14-13-16-9-6-5-7-10-16/h5-15,19H,3-4H2,1-2H3/b14-13+
InChIKeyZMSGIAZXBJQNGY-BUHFOSPRSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide (CID 58752965) is (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide is CCN(CC)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide?
The InChIKey is ZMSGIAZXBJQNGY-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-20(4-2)18-12-8-11-17(15-18)19-23(21,22)14-13-16-9-6-5-7-10-16/h5-15,19H,3-4H2,1-2H3/b14-13+.
What are the key properties of (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide?
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 58752965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).