7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid

C19H26FNO4S — CID 67794841

IUPAC7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1=CCCC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H26FNO4S/c20-17-12-10-15(11-13-17)14-26(24,25)21-18-8-5-7-16(18)6-3-1-2-4-9-19(22)23/h7,10-13,18,21H,1-6,8-9,14H2,(H,22,23)
InChIKeyBOZQUXNVMHOUNC-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.76
Rot. Bonds11

About 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid

7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid (PubChem CID 67794841) has the molecular formula C19H26FNO4S and a molecular weight of 383.49 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid
PubChem CID67794841
Molecular FormulaC19H26FNO4S
Molecular Weight383.49 g/mol
Exact Mass383.16
IUPAC Name7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid
SMILESO=C(O)CCCCCCC1=CCCC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H26FNO4S/c20-17-12-10-15(11-13-17)14-26(24,25)21-18-8-5-7-16(18)6-3-1-2-4-9-19(22)23/h7,10-13,18,21H,1-6,8-9,14H2,(H,22,23)
InChIKeyBOZQUXNVMHOUNC-UHFFFAOYSA-N
XLogP3.76
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.76
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 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid?
The IUPAC name of 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid (CID 67794841) is 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid is O=C(O)CCCCCCC1=CCCC1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid?
The InChIKey is BOZQUXNVMHOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4S/c20-17-12-10-15(11-13-17)14-26(24,25)21-18-8-5-7-16(18)6-3-1-2-4-9-19(22)23/h7,10-13,18,21H,1-6,8-9,14H2,(H,22,23).
What are the key properties of 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid?
7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid has a molecular weight of 383.49 g/mol, XLogP of 3.76, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid is sourced from PubChem (CID 67794841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).