phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

C22H19NO7S — CID 2463347

IUPACphenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19NO7S/c1-29-21-10-6-5-9-18(21)23-31(27,28)16-11-12-19(24)17(13-16)22(26)30-14-20(25)15-7-3-2-4-8-15/h2-13,23-24H,14H2,1H3
InChIKeyQFIOAADXTVDDKX-UHFFFAOYSA-N
MW441.46 g/mol
LogP3.24
Rot. Bonds8

About phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 2463347) has the molecular formula C22H19NO7S and a molecular weight of 441.46 g/mol. Its IUPAC name is phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namephenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID2463347
Molecular FormulaC22H19NO7S
Molecular Weight441.46 g/mol
Exact Mass441.09
IUPAC Namephenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19NO7S/c1-29-21-10-6-5-9-18(21)23-31(27,28)16-11-12-19(24)17(13-16)22(26)30-14-20(25)15-7-3-2-4-8-15/h2-13,23-24H,14H2,1H3
InChIKeyQFIOAADXTVDDKX-UHFFFAOYSA-N
XLogP3.24
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
Ethyl 4-[[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 5019635
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2999240
[2-[4-(Diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 4830648
5-[(5-Chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 4848510
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 4883364
2-[2-[(4-Chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798264
[2-[Benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2358467
SB 203347
CID 9808192
5-[(4-Butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
3-[(2-Phenoxyphenyl)sulfamoyl]benzoic acid
CID 2466116
[2-(2,4-Dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2351467

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 2463347) is phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccccc2)c1.
What is the InChIKey of phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is QFIOAADXTVDDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO7S/c1-29-21-10-6-5-9-18(21)23-31(27,28)16-11-12-19(24)17(13-16)22(26)30-14-20(25)15-7-3-2-4-8-15/h2-13,23-24H,14H2,1H3.
What are the key properties of phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 441.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2463347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).