ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate

C16H16FNO4S — CID 3758175

IUPACethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO4S/c1-2-22-16(19)10-12-6-8-14(9-7-12)18-23(20,21)15-5-3-4-13(17)11-15/h3-9,11,18H,2,10H2,1H3
InChIKeySCVODWQSMZLMKE-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.73
Rot. Bonds6

About ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate

ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate (PubChem CID 3758175) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate
PubChem CID3758175
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Nameethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO4S/c1-2-22-16(19)10-12-6-8-14(9-7-12)18-23(20,21)15-5-3-4-13(17)11-15/h3-9,11,18H,2,10H2,1H3
InChIKeySCVODWQSMZLMKE-UHFFFAOYSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate (CID 3758175) is ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate?
The InChIKey is SCVODWQSMZLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-2-22-16(19)10-12-6-8-14(9-7-12)18-23(20,21)15-5-3-4-13(17)11-15/h3-9,11,18H,2,10H2,1H3.
What are the key properties of ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate?
ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate has a molecular weight of 337.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 3758175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).