methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate

C15H14FNO5S — CID 6473058

IUPACmethyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H14FNO5S/c1-21-14-8-7-10(9-12(14)16)23(19,20)17-13-6-4-3-5-11(13)15(18)22-2/h3-9,17H,1-2H3
InChIKeyOFHYSESOQRYXSD-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.42
Rot. Bonds5

About methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate

methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 6473058) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID6473058
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Namemethyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H14FNO5S/c1-21-14-8-7-10(9-12(14)16)23(19,20)17-13-6-4-3-5-11(13)15(18)22-2/h3-9,17H,1-2H3
InChIKeyOFHYSESOQRYXSD-UHFFFAOYSA-N
XLogP2.42
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
2-[(3,4-Dimethoxyphenyl)sulfonylamino]benzamide
CID 778405
Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}benzoate
CID 629239
Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
CID 1122589
4-(N-(2-acetylphenyl)sulfamoyl)phenyl pivalate
CID 118202506
[4-[(2-Formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202509
[4-[(2-Propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202510
[4-[(2-Butanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202512
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-benzoic acid
CID 1118219
Methyl 2-{[(4-fluorophenyl)sulfonyl]amino}benzoate
CID 743385
2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid
CID 2380119

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate (CID 6473058) is methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is OFHYSESOQRYXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-21-14-8-7-10(9-12(14)16)23(19,20)17-13-6-4-3-5-11(13)15(18)22-2/h3-9,17H,1-2H3.
What are the key properties of methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate?
methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate has a molecular weight of 339.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 6473058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).