7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid

C24H25ClN2O4S — CID 14989444

IUPAC7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid
SMILESO=C(O)CCCCCC(c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H25ClN2O4S/c25-20-11-13-22(14-12-20)32(30,31)27-21-8-4-6-18(16-21)23(19-7-5-15-26-17-19)9-2-1-3-10-24(28)29/h4-8,11-17,23,27H,1-3,9-10H2,(H,28,29)
InChIKeyZSMOZRUILVISHW-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.70
Rot. Bonds11

About 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid

7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid (PubChem CID 14989444) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid.

Molecular Properties

Compound Name7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid
PubChem CID14989444
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid
SMILESO=C(O)CCCCCC(c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H25ClN2O4S/c25-20-11-13-22(14-12-20)32(30,31)27-21-8-4-6-18(16-21)23(19-7-5-15-26-17-19)9-2-1-3-10-24(28)29/h4-8,11-17,23,27H,1-3,9-10H2,(H,28,29)
InChIKeyZSMOZRUILVISHW-UHFFFAOYSA-N
XLogP5.70
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.70
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 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid?
The IUPAC name of 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid (CID 14989444) is 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid.
What is the SMILES notation for 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid?
The canonical SMILES for 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid is O=C(O)CCCCCC(c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid?
The InChIKey is ZSMOZRUILVISHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c25-20-11-13-22(14-12-20)32(30,31)27-21-8-4-6-18(16-21)23(19-7-5-15-26-17-19)9-2-1-3-10-24(28)29/h4-8,11-17,23,27H,1-3,9-10H2,(H,28,29).
What are the key properties of 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid?
7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid has a molecular weight of 472.99 g/mol, XLogP of 5.70, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-7-pyridin-3-ylheptanoic acid is sourced from PubChem (CID 14989444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).