methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate

C15H14FNO4S — CID 2973784

IUPACmethyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)14(11-5-3-2-4-6-11)17-22(19,20)13-9-7-12(16)8-10-13/h2-10,14,17H,1H3
InChIKeyWBDOBAISZXGAPS-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.02
Rot. Bonds5

About methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate

methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate (PubChem CID 2973784) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate
PubChem CID2973784
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Namemethyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H14FNO4S/c1-21-15(18)14(11-5-3-2-4-6-11)17-22(19,20)13-9-7-12(16)8-10-13/h2-10,14,17H,1H3
InChIKeyWBDOBAISZXGAPS-UHFFFAOYSA-N
XLogP2.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate (CID 2973784) is methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate is COC(=O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is WBDOBAISZXGAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-21-15(18)14(11-5-3-2-4-6-11)17-22(19,20)13-9-7-12(16)8-10-13/h2-10,14,17H,1H3.
What are the key properties of methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate?
methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate has a molecular weight of 323.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 2973784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).