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

C15H14FNO5S — CID 33492766

IUPACmethyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C15H14FNO5S/c1-21-11-4-6-12(7-5-11)23(19,20)17-14-9-10(15(18)22-2)3-8-13(14)16/h3-9,17H,1-2H3
InChIKeyGMXOWQSCKQIPMV-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.42
Rot. Bonds5

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

methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate (PubChem CID 33492766) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
PubChem CID33492766
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Namemethyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C15H14FNO5S/c1-21-11-4-6-12(7-5-11)23(19,20)17-14-9-10(15(18)22-2)3-8-13(14)16/h3-9,17H,1-2H3
InChIKeyGMXOWQSCKQIPMV-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

methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate (CID 33492766) is methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
The InChIKey is GMXOWQSCKQIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-21-11-4-6-12(7-5-11)23(19,20)17-14-9-10(15(18)22-2)3-8-13(14)16/h3-9,17H,1-2H3.
What are the key properties of methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate?
methyl 4-fluoro-3-[(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 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 33492766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).