5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid

C24H25ClN2O4S — CID 10096378

IUPAC5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid
SMILESO=C(O)CCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
InChIInChI=1S/C24H25ClN2O4S/c25-21-10-12-22(13-11-21)32(30,31)27-16-14-18-6-8-19(9-7-18)23(4-1-5-24(28)29)20-3-2-15-26-17-20/h2-3,6-13,15,17,23,27H,1,4-5,14,16H2,(H,28,29)
InChIKeyHQAGYVZFEKMBFE-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.64
Rot. Bonds11

About 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid

5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid (PubChem CID 10096378) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid.

Molecular Properties

Compound Name5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid
PubChem CID10096378
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid
SMILESO=C(O)CCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1
InChIInChI=1S/C24H25ClN2O4S/c25-21-10-12-22(13-11-21)32(30,31)27-16-14-18-6-8-19(9-7-18)23(4-1-5-24(28)29)20-3-2-15-26-17-20/h2-3,6-13,15,17,23,27H,1,4-5,14,16H2,(H,28,29)
InChIKeyHQAGYVZFEKMBFE-UHFFFAOYSA-N
XLogP4.64
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid?
The IUPAC name of 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid (CID 10096378) is 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid.
What is the SMILES notation for 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid?
The canonical SMILES for 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid is O=C(O)CCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1.
What is the InChIKey of 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid?
The InChIKey is HQAGYVZFEKMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c25-21-10-12-22(13-11-21)32(30,31)27-16-14-18-6-8-19(9-7-18)23(4-1-5-24(28)29)20-3-2-15-26-17-20/h2-3,6-13,15,17,23,27H,1,4-5,14,16H2,(H,28,29).
What are the key properties of 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid?
5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid has a molecular weight of 472.99 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-5-pyridin-3-ylpentanoic acid is sourced from PubChem (CID 10096378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).