(Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid

C18H24FNO4S — CID 15018454

IUPAC(Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24FNO4S/c19-16-12-13-17(15(16)10-6-1-2-7-11-18(21)22)20-25(23,24)14-8-4-3-5-9-14/h1,3-6,8-9,15-17,20H,2,7,10-13H2,(H,21,22)/b6-1-/t15-,16+,17-/m0/s1
InChIKeyKHNKXWIPSPGHHO-AVNIKDTISA-N
MW369.46 g/mol
LogP3.28
Rot. Bonds9

About (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid (PubChem CID 15018454) has the molecular formula C18H24FNO4S and a molecular weight of 369.46 g/mol. Its IUPAC name is (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid
PubChem CID15018454
Molecular FormulaC18H24FNO4S
Molecular Weight369.46 g/mol
Exact Mass369.14
IUPAC Name(Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24FNO4S/c19-16-12-13-17(15(16)10-6-1-2-7-11-18(21)22)20-25(23,24)14-8-4-3-5-9-14/h1,3-6,8-9,15-17,20H,2,7,10-13H2,(H,21,22)/b6-1-/t15-,16+,17-/m0/s1
InChIKeyKHNKXWIPSPGHHO-AVNIKDTISA-N
XLogP3.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid (CID 15018454) is (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid?
The InChIKey is KHNKXWIPSPGHHO-AVNIKDTISA-N. The full InChI is InChI=1S/C18H24FNO4S/c19-16-12-13-17(15(16)10-6-1-2-7-11-18(21)22)20-25(23,24)14-8-4-3-5-9-14/h1,3-6,8-9,15-17,20H,2,7,10-13H2,(H,21,22)/b6-1-/t15-,16+,17-/m0/s1.
What are the key properties of (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid has a molecular weight of 369.46 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2S,5R)-2-(benzenesulfonamido)-5-fluorocyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 15018454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).