methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate

C19H26FNO4S — CID 67916513

IUPACmethyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate
SMILESCOC(=O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccccc2)CC[C@H]1F
InChIInChI=1S/C19H26FNO4S/c1-25-19(22)11-7-3-6-10-17-15(12-13-18(17)20)14-21-26(23,24)16-8-4-2-5-9-16/h2-6,8-9,15,17-18,21H,7,10-14H2,1H3/b6-3-/t15-,17-,18-/m1/s1
InChIKeyVYHFQIGFXVQCNX-CAXUFITISA-N
MW383.49 g/mol
LogP3.23
Rot. Bonds9

About methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate

methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate (PubChem CID 67916513) has the molecular formula C19H26FNO4S and a molecular weight of 383.49 g/mol. Its IUPAC name is methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate
PubChem CID67916513
Molecular FormulaC19H26FNO4S
Molecular Weight383.49 g/mol
Exact Mass383.16
IUPAC Namemethyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate
SMILESCOC(=O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccccc2)CC[C@H]1F
InChIInChI=1S/C19H26FNO4S/c1-25-19(22)11-7-3-6-10-17-15(12-13-18(17)20)14-21-26(23,24)16-8-4-2-5-9-16/h2-6,8-9,15,17-18,21H,7,10-14H2,1H3/b6-3-/t15-,17-,18-/m1/s1
InChIKeyVYHFQIGFXVQCNX-CAXUFITISA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate?
The IUPAC name of methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate (CID 67916513) is methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate.
What is the SMILES notation for methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate?
The canonical SMILES for methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate is COC(=O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccccc2)CC[C@H]1F.
What is the InChIKey of methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate?
The InChIKey is VYHFQIGFXVQCNX-CAXUFITISA-N. The full InChI is InChI=1S/C19H26FNO4S/c1-25-19(22)11-7-3-6-10-17-15(12-13-18(17)20)14-21-26(23,24)16-8-4-2-5-9-16/h2-6,8-9,15,17-18,21H,7,10-14H2,1H3/b6-3-/t15-,17-,18-/m1/s1.
What are the key properties of methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate?
methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate has a molecular weight of 383.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate is sourced from PubChem (CID 67916513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).