(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide

C20H25N3O2S — CID 34105825

IUPAC(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,18-11-19-7-3-1-4-8-19)21-12-13-22-14-16-23(17-15-22)20-9-5-2-6-10-20/h1-11,18,21H,12-17H2/b18-11+
InChIKeyFHNQEFRYYXWGOP-WOJGMQOQSA-N
MW371.51 g/mol
LogP2.40
Rot. Bonds7

About (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide

(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide (PubChem CID 34105825) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
PubChem CID34105825
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,18-11-19-7-3-1-4-8-19)21-12-13-22-14-16-23(17-15-22)20-9-5-2-6-10-20/h1-11,18,21H,12-17H2/b18-11+
InChIKeyFHNQEFRYYXWGOP-WOJGMQOQSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethenesulfonamide
CID 55906148
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 35418237
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide (CID 34105825) is (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide?
The InChIKey is FHNQEFRYYXWGOP-WOJGMQOQSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-26(25,18-11-19-7-3-1-4-8-19)21-12-13-22-14-16-23(17-15-22)20-9-5-2-6-10-20/h1-11,18,21H,12-17H2/b18-11+.
What are the key properties of (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide?
(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide has a molecular weight of 371.51 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide is sourced from PubChem (CID 34105825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).