tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate

C18H20FNO4S — CID 6734573

IUPACtert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate
SMILESCC(C)(C)OC(=O)C(NS(=O)(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H20FNO4S/c1-18(2,3)24-17(21)16(13-8-5-4-6-9-13)20-25(22,23)15-11-7-10-14(19)12-15/h4-12,16,20H,1-3H3
InChIKeyXVYFJEOPMQVISY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate

tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate (PubChem CID 6734573) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate
PubChem CID6734573
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Nametert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate
SMILESCC(C)(C)OC(=O)C(NS(=O)(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H20FNO4S/c1-18(2,3)24-17(21)16(13-8-5-4-6-9-13)20-25(22,23)15-11-7-10-14(19)12-15/h4-12,16,20H,1-3H3
InChIKeyXVYFJEOPMQVISY-UHFFFAOYSA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate (CID 6734573) is tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate is CC(C)(C)OC(=O)C(NS(=O)(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is XVYFJEOPMQVISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-18(2,3)24-17(21)16(13-8-5-4-6-9-13)20-25(22,23)15-11-7-10-14(19)12-15/h4-12,16,20H,1-3H3.
What are the key properties of tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate?
tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate has a molecular weight of 365.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-fluorophenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 6734573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).