8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid

C19H23FN2O4S — CID 19874686

IUPAC8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
SMILESO=C(O)CCCCCC(CNS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C19H23FN2O4S/c20-17-8-10-18(11-9-17)27(25,26)22-14-16(15-6-4-12-21-13-15)5-2-1-3-7-19(23)24/h4,6,8-13,16,22H,1-3,5,7,14H2,(H,23,24)
InChIKeyKQWFSRWXLMVFKN-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.32
Rot. Bonds11

About 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid

8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid (PubChem CID 19874686) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid.

Molecular Properties

Compound Name8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
PubChem CID19874686
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
SMILESO=C(O)CCCCCC(CNS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C19H23FN2O4S/c20-17-8-10-18(11-9-17)27(25,26)22-14-16(15-6-4-12-21-13-15)5-2-1-3-7-19(23)24/h4,6,8-13,16,22H,1-3,5,7,14H2,(H,23,24)
InChIKeyKQWFSRWXLMVFKN-UHFFFAOYSA-N
XLogP3.32
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The IUPAC name of 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid (CID 19874686) is 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid.
What is the SMILES notation for 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The canonical SMILES for 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid is O=C(O)CCCCCC(CNS(=O)(=O)c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The InChIKey is KQWFSRWXLMVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c20-17-8-10-18(11-9-17)27(25,26)22-14-16(15-6-4-12-21-13-15)5-2-1-3-7-19(23)24/h4,6,8-13,16,22H,1-3,5,7,14H2,(H,23,24).
What are the key properties of 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid has a molecular weight of 394.47 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid is sourced from PubChem (CID 19874686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).