methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate

C15H20FNO4S — CID 2996675

IUPACmethyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO4S/c1-21-15(18)11-17(13-5-3-2-4-6-13)22(19,20)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeySFXFNUMGDXYDQI-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate

methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 2996675) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate
PubChem CID2996675
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Namemethyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO4S/c1-21-15(18)11-17(13-5-3-2-4-6-13)22(19,20)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3
InChIKeySFXFNUMGDXYDQI-UHFFFAOYSA-N
XLogP2.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate (CID 2996675) is methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate is COC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is SFXFNUMGDXYDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-21-15(18)11-17(13-5-3-2-4-6-13)22(19,20)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3.
What are the key properties of methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate?
methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 329.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).