(2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

C21H18FNO6S — CID 2418877

IUPAC(2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C21H18FNO6S/c1-28-20-9-5-4-8-18(20)23-30(26,27)15-10-11-19(24)16(12-15)21(25)29-13-14-6-2-3-7-17(14)22/h2-12,23-24H,13H2,1H3
InChIKeyJTRCFXFTQQNTTJ-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.70
Rot. Bonds7

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

(2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 2418877) has the molecular formula C21H18FNO6S and a molecular weight of 431.44 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID2418877
Molecular FormulaC21H18FNO6S
Molecular Weight431.44 g/mol
Exact Mass431.08
IUPAC Name(2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C21H18FNO6S/c1-28-20-9-5-4-8-18(20)23-30(26,27)15-10-11-19(24)16(12-15)21(25)29-13-14-6-2-3-7-17(14)22/h2-12,23-24H,13H2,1H3
InChIKeyJTRCFXFTQQNTTJ-UHFFFAOYSA-N
XLogP3.70
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 2418877) is (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is JTRCFXFTQQNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO6S/c1-28-20-9-5-4-8-18(20)23-30(26,27)15-10-11-19(24)16(12-15)21(25)29-13-14-6-2-3-7-17(14)22/h2-12,23-24H,13H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
(2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 431.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2418877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).