2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate

C11H14FNO4S — CID 174455160

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate
SMILESCC(=O)OCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-9(14)17-8-7-13(2)18(15,16)11-5-3-10(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeySVVCTFPZHGNINQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.01
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate

2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate (PubChem CID 174455160) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate
PubChem CID174455160
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate
SMILESCC(=O)OCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-9(14)17-8-7-13(2)18(15,16)11-5-3-10(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeySVVCTFPZHGNINQ-UHFFFAOYSA-N
XLogP1.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate (CID 174455160) is 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate is CC(=O)OCCN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
The InChIKey is SVVCTFPZHGNINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-9(14)17-8-7-13(2)18(15,16)11-5-3-10(12)4-6-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate?
2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate has a molecular weight of 275.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl acetate is sourced from PubChem (CID 174455160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).