8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide

C22H30ClN3O3S — CID 10072535

IUPAC8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide
SMILESNC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
InChIInChI=1S/C22H30ClN3O3S/c23-20-10-12-21(13-11-20)30(28,29)26-16-2-1-5-18(9-14-22(24)27)6-3-7-19-8-4-15-25-17-19/h4,8,10-13,15,17-18,26H,1-3,5-7,9,14,16H2,(H2,24,27)
InChIKeyLIHDQXVQZPHSJO-UHFFFAOYSA-N
MW452.02 g/mol
LogP4.09
Rot. Bonds14

About 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide

8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide (PubChem CID 10072535) has the molecular formula C22H30ClN3O3S and a molecular weight of 452.02 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide.

Molecular Properties

Compound Name8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide
PubChem CID10072535
Molecular FormulaC22H30ClN3O3S
Molecular Weight452.02 g/mol
Exact Mass451.17
IUPAC Name8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide
SMILESNC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1
InChIInChI=1S/C22H30ClN3O3S/c23-20-10-12-21(13-11-20)30(28,29)26-16-2-1-5-18(9-14-22(24)27)6-3-7-19-8-4-15-25-17-19/h4,8,10-13,15,17-18,26H,1-3,5-7,9,14,16H2,(H2,24,27)
InChIKeyLIHDQXVQZPHSJO-UHFFFAOYSA-N
XLogP4.09
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.02
LogP ≤ 54.09
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-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide?
The IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide (CID 10072535) is 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide.
What is the SMILES notation for 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide?
The canonical SMILES for 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide is NC(=O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1.
What is the InChIKey of 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide?
The InChIKey is LIHDQXVQZPHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3S/c23-20-10-12-21(13-11-20)30(28,29)26-16-2-1-5-18(9-14-22(24)27)6-3-7-19-8-4-15-25-17-19/h4,8,10-13,15,17-18,26H,1-3,5-7,9,14,16H2,(H2,24,27).
What are the key properties of 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide?
8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide has a molecular weight of 452.02 g/mol, XLogP of 4.09, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanamide is sourced from PubChem (CID 10072535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).