ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate

C15H20FNO4S — CID 22713384

IUPACethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H20FNO4S/c1-2-21-14(18)15(10-4-3-5-11-15)17-22(19,20)13-8-6-12(16)7-9-13/h6-9,17H,2-5,10-11H2,1H3
InChIKeyHDWNNRGRVVLRAD-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.37
Rot. Bonds5

About ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate

ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate (PubChem CID 22713384) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate
PubChem CID22713384
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Nameethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NS(=O)(=O)c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C15H20FNO4S/c1-2-21-14(18)15(10-4-3-5-11-15)17-22(19,20)13-8-6-12(16)7-9-13/h6-9,17H,2-5,10-11H2,1H3
InChIKeyHDWNNRGRVVLRAD-UHFFFAOYSA-N
XLogP2.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate (CID 22713384) is ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate is CCOC(=O)C1(NS(=O)(=O)c2ccc(F)cc2)CCCCC1.
What is the InChIKey of ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
The InChIKey is HDWNNRGRVVLRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-2-21-14(18)15(10-4-3-5-11-15)17-22(19,20)13-8-6-12(16)7-9-13/h6-9,17H,2-5,10-11H2,1H3.
What are the key properties of ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate?
ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate has a molecular weight of 329.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 22713384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).