(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide

C18H16N2O2S2 — CID 121166367

IUPAC(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1cccnc1-c1cccs1
InChIInChI=1S/C18H16N2O2S2/c21-24(22,13-10-15-6-2-1-3-7-15)20-14-16-8-4-11-19-18(16)17-9-5-12-23-17/h1-13,20H,14H2/b13-10+
InChIKeyVIOMTODUSIIGRO-JLHYYAGUSA-N
MW356.47 g/mol
LogP3.90
Rot. Bonds6

About (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide

(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide (PubChem CID 121166367) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
PubChem CID121166367
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCc1cccnc1-c1cccs1
InChIInChI=1S/C18H16N2O2S2/c21-24(22,13-10-15-6-2-1-3-7-15)20-14-16-8-4-11-19-18(16)17-9-5-12-23-17/h1-13,20H,14H2/b13-10+
InChIKeyVIOMTODUSIIGRO-JLHYYAGUSA-N
XLogP3.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide (CID 121166367) is (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCc1cccnc1-c1cccs1.
What is the InChIKey of (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
The InChIKey is VIOMTODUSIIGRO-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c21-24(22,13-10-15-6-2-1-3-7-15)20-14-16-8-4-11-19-18(16)17-9-5-12-23-17/h1-13,20H,14H2/b13-10+.
What are the key properties of (E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide has a molecular weight of 356.47 g/mol, XLogP of 3.90, 6 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-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide is sourced from PubChem (CID 121166367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).