(2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate

C17H17FN2O5S — CID 2223337

IUPAC(2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccccc1F
InChIInChI=1S/C17H17FN2O5S/c18-15-9-5-4-6-13(15)12-25-17(22)11-19-16(21)10-20-26(23,24)14-7-2-1-3-8-14/h1-9,20H,10-12H2,(H,19,21)
InChIKeyUSVFLGBGHWNVJP-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.96
Rot. Bonds8

About (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate

(2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate (PubChem CID 2223337) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate
PubChem CID2223337
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name(2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccccc1F
InChIInChI=1S/C17H17FN2O5S/c18-15-9-5-4-6-13(15)12-25-17(22)11-19-16(21)10-20-26(23,24)14-7-2-1-3-8-14/h1-9,20H,10-12H2,(H,19,21)
InChIKeyUSVFLGBGHWNVJP-UHFFFAOYSA-N
XLogP0.96
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate (CID 2223337) is (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate is O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
The InChIKey is USVFLGBGHWNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-15-9-5-4-6-13(15)12-25-17(22)11-19-16(21)10-20-26(23,24)14-7-2-1-3-8-14/h1-9,20H,10-12H2,(H,19,21).
What are the key properties of (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
(2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate has a molecular weight of 380.40 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-[[2-(benzenesulfonamido)acetyl]amino]acetate is sourced from PubChem (CID 2223337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).