3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

C20H15N3O2S — CID 7938889

IUPAC3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1
InChIInChI=1S/C20H15N3O2S/c21-15-17-6-4-9-20(14-17)26(24,25)23-19-8-3-5-16(13-19)10-11-18-7-1-2-12-22-18/h1-14,23H/b11-10+
InChIKeyWJVRWMNFAIHREV-ZHACJKMWSA-N
MW361.43 g/mol
LogP3.92
Rot. Bonds5

About 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (PubChem CID 7938889) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
PubChem CID7938889
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1
InChIInChI=1S/C20H15N3O2S/c21-15-17-6-4-9-20(14-17)26(24,25)23-19-8-3-5-16(13-19)10-11-18-7-1-2-12-22-18/h1-14,23H/b11-10+
InChIKeyWJVRWMNFAIHREV-ZHACJKMWSA-N
XLogP3.92
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (CID 7938889) is 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1.
What is the InChIKey of 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The InChIKey is WJVRWMNFAIHREV-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H15N3O2S/c21-15-17-6-4-9-20(14-17)26(24,25)23-19-8-3-5-16(13-19)10-11-18-7-1-2-12-22-18/h1-14,23H/b11-10+.
What are the key properties of 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide has a molecular weight of 361.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 7938889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).