[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate

C17H16FNO4S — CID 26208288

IUPAC[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate
SMILESCN(c1ccc(OC(=O)C2CC2)cc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H16FNO4S/c1-19(24(21,22)16-5-3-2-4-15(16)18)13-8-10-14(11-9-13)23-17(20)12-6-7-12/h2-5,8-12H,6-7H2,1H3
InChIKeyLBAYYUZGFMJSPV-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.97
Rot. Bonds5

About [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate

[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate (PubChem CID 26208288) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate
PubChem CID26208288
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate
SMILESCN(c1ccc(OC(=O)C2CC2)cc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H16FNO4S/c1-19(24(21,22)16-5-3-2-4-15(16)18)13-8-10-14(11-9-13)23-17(20)12-6-7-12/h2-5,8-12H,6-7H2,1H3
InChIKeyLBAYYUZGFMJSPV-UHFFFAOYSA-N
XLogP2.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate?
The IUPAC name of [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate (CID 26208288) is [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate is CN(c1ccc(OC(=O)C2CC2)cc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate?
The InChIKey is LBAYYUZGFMJSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-19(24(21,22)16-5-3-2-4-15(16)18)13-8-10-14(11-9-13)23-17(20)12-6-7-12/h2-5,8-12H,6-7H2,1H3.
What are the key properties of [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate?
[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate has a molecular weight of 349.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 26208288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).