methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate

C21H18N2O4S — CID 24510150

IUPACmethyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1
InChIInChI=1S/C21H18N2O4S/c1-27-21(24)17-9-12-20(13-10-17)28(25,26)23-19-7-4-5-16(15-19)8-11-18-6-2-3-14-22-18/h2-15,23H,1H3/b11-8+
InChIKeyJZBMYNLTCZCOJP-DHZHZOJOSA-N
MW394.45 g/mol
LogP3.84
Rot. Bonds6

About methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate

methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate (PubChem CID 24510150) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
PubChem CID24510150
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Namemethyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1
InChIInChI=1S/C21H18N2O4S/c1-27-21(24)17-9-12-20(13-10-17)28(25,26)23-19-7-4-5-16(15-19)8-11-18-6-2-3-14-22-18/h2-15,23H,1H3/b11-8+
InChIKeyJZBMYNLTCZCOJP-DHZHZOJOSA-N
XLogP3.84
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
3-cyano-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 7938889
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
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
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 55920700
4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 24656443
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide
CID 87045405
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate
CID 52838954

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate (CID 24510150) is methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1.
What is the InChIKey of methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate?
The InChIKey is JZBMYNLTCZCOJP-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-27-21(24)17-9-12-20(13-10-17)28(25,26)23-19-7-4-5-16(15-19)8-11-18-6-2-3-14-22-18/h2-15,23H,1H3/b11-8+.
What are the key properties of methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate?
methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate has a molecular weight of 394.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 24510150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).