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

C19H23ClN2O4S — CID 10047212

IUPAC8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
SMILESO=C(O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C19H23ClN2O4S/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)
InChIKeySHYBZZCSPUTWDK-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.83
Rot. Bonds11

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

8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid (PubChem CID 10047212) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid.

Molecular Properties

Compound Name8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
PubChem CID10047212
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid
SMILESO=C(O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C19H23ClN2O4S/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)
InChIKeySHYBZZCSPUTWDK-UHFFFAOYSA-N
XLogP3.83
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(4-chlorophenyl)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

Related Compounds

Cgs 22652
CID 131717
Samixogrel
CID 6436053
8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic Acid
CID 9803080
6-(4-(2-((4-Chlorobenzene-1-sulfonyl)amino)ethyl)phenyl)-6-(pyridin-3-yl)hexanoic acid
CID 3077003
8-(4-Chloro-benzenesulfonylamino)-4-[3-(4-methyl-pyridin-3-yl)-propyl]-octanoic acid
CID 10027568
8-(4-Chloro-benzenesulfonylamino)-2,2-dimethyl-4-(3-pyridin-3-yl-propyl)-octanoic acid
CID 10050856
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
CID 10321942
4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylamino)-octanoic acid
CID 10432964
[5-(4-Chloro-benzenesulfonylamino)-1-(3-pyridin-3-yl-propyl)-pentylsulfanyl]-acetic acid
CID 11754506
3-[6-(4-Chloro-benzenesulfonylamino)-3-pyridin-3-ylmethyl-5,6,7,8-tetrahydro-naphthalen-1-yl]-propionic acid
CID 19003197
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-pyridin-4-ylmethyl-phenyl}-propionic acid
CID 19711412
potassium 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoate
CID 23673433

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid (CID 10047212) is 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid.
What is the SMILES notation for 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The canonical SMILES for 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid is O=C(O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
The InChIKey is SHYBZZCSPUTWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/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-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid?
8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid has a molecular weight of 410.92 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)sulfonylamino]-7-pyridin-3-yloctanoic acid is sourced from PubChem (CID 10047212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).