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

C21H18N2O3S — CID 40664221

IUPAC4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1
InChIInChI=1S/C21H18N2O3S/c1-16(24)18-9-12-21(13-10-18)27(25,26)23-20-7-4-5-17(15-20)8-11-19-6-2-3-14-22-19/h2-15,23H,1H3/b11-8+
InChIKeyWIQVSGGZBSMJLK-DHZHZOJOSA-N
MW378.45 g/mol
LogP4.26
Rot. Bonds6

About 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide

4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (PubChem CID 40664221) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
PubChem CID40664221
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1
InChIInChI=1S/C21H18N2O3S/c1-16(24)18-9-12-21(13-10-18)27(25,26)23-20-7-4-5-17(15-20)8-11-19-6-2-3-14-22-19/h2-15,23H,1H3/b11-8+
InChIKeyWIQVSGGZBSMJLK-DHZHZOJOSA-N
XLogP4.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
CID 24510150
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889
2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 6224152
3,5-dimethyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 8004148
4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 24656443
(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide
CID 87045405
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
N-(4-acetylphenyl)-4-(pyridin-2-ylmethylamino)benzenesulfonamide
CID 58896333
4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4823960
4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
CID 99788218
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide (CID 40664221) is 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1.
What is the InChIKey of 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
The InChIKey is WIQVSGGZBSMJLK-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-16(24)18-9-12-21(13-10-18)27(25,26)23-20-7-4-5-17(15-20)8-11-19-6-2-3-14-22-19/h2-15,23H,1H3/b11-8+.
What are the key properties of 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide?
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 40664221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).