8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid

C20H26N2O4S — CID 10068983

IUPAC8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
SMILESCc1ccccc1S(=O)(=O)NCC(CCCCCC(=O)O)c1cccnc1
InChIInChI=1S/C20H26N2O4S/c1-16-8-5-6-11-19(16)27(25,26)22-15-18(17-10-7-13-21-14-17)9-3-2-4-12-20(23)24/h5-8,10-11,13-14,18,22H,2-4,9,12,15H2,1H3,(H,23,24)
InChIKeyDUZKWSCSIAEVMZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.49
Rot. Bonds11

About 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid

8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid (PubChem CID 10068983) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid.

Molecular Properties

Compound Name8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
PubChem CID10068983
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
SMILESCc1ccccc1S(=O)(=O)NCC(CCCCCC(=O)O)c1cccnc1
InChIInChI=1S/C20H26N2O4S/c1-16-8-5-6-11-19(16)27(25,26)22-15-18(17-10-7-13-21-14-17)9-3-2-4-12-20(23)24/h5-8,10-11,13-14,18,22H,2-4,9,12,15H2,1H3,(H,23,24)
InChIKeyDUZKWSCSIAEVMZ-UHFFFAOYSA-N
XLogP3.49
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The IUPAC name of 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid (CID 10068983) is 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid.
What is the SMILES notation for 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The canonical SMILES for 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid is Cc1ccccc1S(=O)(=O)NCC(CCCCCC(=O)O)c1cccnc1.
What is the InChIKey of 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The InChIKey is DUZKWSCSIAEVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-16-8-5-6-11-19(16)27(25,26)22-15-18(17-10-7-13-21-14-17)9-3-2-4-12-20(23)24/h5-8,10-11,13-14,18,22H,2-4,9,12,15H2,1H3,(H,23,24).
What are the key properties of 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid has a molecular weight of 390.51 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylphenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid is sourced from PubChem (CID 10068983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).