methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate

C15H14FNO5S — CID 18629030

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

About methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate

methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate (PubChem CID 18629030) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
PubChem CID18629030
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Namemethyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C15H14FNO5S/c1-21-14-9-10(15(18)22-2)3-8-13(14)17-23(19,20)12-6-4-11(16)5-7-12/h3-9,17H,1-2H3
InChIKeyGUYIWFUMTBOSKE-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 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 1050459
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
methyl 4-[[4-(4-cyclohexylphenyl)-3-fluorophenyl]sulfonylamino]-3-methoxybenzoate
CID 167476700
methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate
CID 25469548

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate?
The IUPAC name of methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate (CID 18629030) is methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate?
The InChIKey is GUYIWFUMTBOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-21-14-9-10(15(18)22-2)3-8-13(14)17-23(19,20)12-6-4-11(16)5-7-12/h3-9,17H,1-2H3.
What are the key properties of methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate?
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate 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-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate is sourced from PubChem (CID 18629030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).