methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate

C15H14FNO4S — CID 967387

IUPACmethyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)11-17(13-5-3-2-4-6-13)22(19,20)14-9-7-12(16)8-10-14/h2-10H,11H2,1H3
InChIKeyPGSDMQBODOITBQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.19
Rot. Bonds5

About methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate

methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate (PubChem CID 967387) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate
PubChem CID967387
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Namemethyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)11-17(13-5-3-2-4-6-13)22(19,20)14-9-7-12(16)8-10-14/h2-10H,11H2,1H3
InChIKeyPGSDMQBODOITBQ-UHFFFAOYSA-N
XLogP2.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate (CID 967387) is methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate is COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate?
The InChIKey is PGSDMQBODOITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-15(18)11-17(13-5-3-2-4-6-13)22(19,20)14-9-7-12(16)8-10-14/h2-10H,11H2,1H3.
What are the key properties of methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate?
methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate has a molecular weight of 323.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(4-fluorophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 967387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).