methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate

C14H12FNO4S — CID 669144

IUPACmethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO4S/c1-20-14(17)10-2-6-12(7-3-10)16-21(18,19)13-8-4-11(15)5-9-13/h2-9,16H,1H3
InChIKeyLTRIJQHUBIJVRD-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.41
Rot. Bonds4

About methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate

methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate (PubChem CID 669144) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
PubChem CID669144
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Namemethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO4S/c1-20-14(17)10-2-6-12(7-3-10)16-21(18,19)13-8-4-11(15)5-9-13/h2-9,16H,1H3
InChIKeyLTRIJQHUBIJVRD-UHFFFAOYSA-N
XLogP2.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate (CID 669144) is methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is LTRIJQHUBIJVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-20-14(17)10-2-6-12(7-3-10)16-21(18,19)13-8-4-11(15)5-9-13/h2-9,16H,1H3.
What are the key properties of methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 309.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 669144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).