3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide

C22H20FN3O5S — CID 2692046

IUPAC3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESC=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)c1cc(F)ccc1O
InChIInChI=1S/C22H20FN3O5S/c1-14(18-13-16(23)10-11-20(18)27)24-25-22(28)15-6-5-7-17(12-15)32(29,30)26-19-8-3-4-9-21(19)31-2/h3-13,24,26-27H,1H2,2H3,(H,25,28)
InChIKeySMUGSONMAFYVLK-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.25
Rot. Bonds8

About 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide

3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 2692046) has the molecular formula C22H20FN3O5S and a molecular weight of 457.48 g/mol. Its IUPAC name is 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID2692046
Molecular FormulaC22H20FN3O5S
Molecular Weight457.48 g/mol
Exact Mass457.11
IUPAC Name3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESC=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)c1cc(F)ccc1O
InChIInChI=1S/C22H20FN3O5S/c1-14(18-13-16(23)10-11-20(18)27)24-25-22(28)15-6-5-7-17(12-15)32(29,30)26-19-8-3-4-9-21(19)31-2/h3-13,24,26-27H,1H2,2H3,(H,25,28)
InChIKeySMUGSONMAFYVLK-UHFFFAOYSA-N
XLogP3.25
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24517530
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
3-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24502638
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 136772598
N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 167976299
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
3-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24540494

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 2692046) is 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide is C=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)c1cc(F)ccc1O.
What is the InChIKey of 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is SMUGSONMAFYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5S/c1-14(18-13-16(23)10-11-20(18)27)24-25-22(28)15-6-5-7-17(12-15)32(29,30)26-19-8-3-4-9-21(19)31-2/h3-13,24,26-27H,1H2,2H3,(H,25,28).
What are the key properties of 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide?
3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 457.48 g/mol, XLogP of 3.25, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2692046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).