1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate

C11H14FNO4S — CID 174455161

IUPAC1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate
SMILESCC(=O)OC(C)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-8(17-9(2)14)13(3)18(15,16)11-6-4-10(12)5-7-11/h4-8H,1-3H3
InChIKeyMQZCTKFYXNOHLU-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.36
Rot. Bonds4

About 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate

1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate (PubChem CID 174455161) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate.

Molecular Properties

Compound Name1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate
PubChem CID174455161
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate
SMILESCC(=O)OC(C)N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-8(17-9(2)14)13(3)18(15,16)11-6-4-10(12)5-7-11/h4-8H,1-3H3
InChIKeyMQZCTKFYXNOHLU-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
The IUPAC name of 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate (CID 174455161) is 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate.
What is the SMILES notation for 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
The canonical SMILES for 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate is CC(=O)OC(C)N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
The InChIKey is MQZCTKFYXNOHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-8(17-9(2)14)13(3)18(15,16)11-6-4-10(12)5-7-11/h4-8H,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate has a molecular weight of 275.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate is sourced from PubChem (CID 174455161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).