8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid

C20H28FN3O4S — CID 19874702

IUPAC8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid
SMILESO=C(O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCn1ccnc1
InChIInChI=1S/C20H28FN3O4S/c21-18-7-9-19(10-8-18)29(27,28)23-12-2-1-4-17(6-11-20(25)26)5-3-14-24-15-13-22-16-24/h7-10,13,15-17,23H,1-6,11-12,14H2,(H,25,26)
InChIKeyRHWSVQCPUDMFHD-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.43
Rot. Bonds14

About 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid

8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid (PubChem CID 19874702) has the molecular formula C20H28FN3O4S and a molecular weight of 425.53 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid.

Molecular Properties

Compound Name8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid
PubChem CID19874702
Molecular FormulaC20H28FN3O4S
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid
SMILESO=C(O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCn1ccnc1
InChIInChI=1S/C20H28FN3O4S/c21-18-7-9-19(10-8-18)29(27,28)23-12-2-1-4-17(6-11-20(25)26)5-3-14-24-15-13-22-16-24/h7-10,13,15-17,23H,1-6,11-12,14H2,(H,25,26)
InChIKeyRHWSVQCPUDMFHD-UHFFFAOYSA-N
XLogP3.43
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid
CID 19874767
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
2-bromo-4-fluoro-N-(4-imidazol-1-ylbutyl)benzenesulfonamide
CID 61069449
8-[(4-fluorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)octanoic acid
CID 19874790
8-[(4-fluorophenyl)sulfonylamino]-4-(4-pyridin-3-ylphenyl)octanoic acid
CID 19874797
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
8-[(4-chlorophenyl)sulfonylamino]-4-(2-pyridin-3-yloxyethyl)octanoic acid
CID 10321764

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid?
The IUPAC name of 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid (CID 19874702) is 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid.
What is the SMILES notation for 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid?
The canonical SMILES for 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid is O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(F)cc1)CCCn1ccnc1.
What is the InChIKey of 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid?
The InChIKey is RHWSVQCPUDMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4S/c21-18-7-9-19(10-8-18)29(27,28)23-12-2-1-4-17(6-11-20(25)26)5-3-14-24-15-13-22-16-24/h7-10,13,15-17,23H,1-6,11-12,14H2,(H,25,26).
What are the key properties of 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid?
8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid has a molecular weight of 425.53 g/mol, XLogP of 3.43, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid is sourced from PubChem (CID 19874702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).