8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride

C19H26ClN3O3S — CID 45265269

IUPAC8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride
SMILESCl.NC(=O)CCCCCC(CNS(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H25N3O3S.ClH/c20-19(23)12-6-1-3-8-17(16-9-7-13-21-14-16)15-22-26(24,25)18-10-4-2-5-11-18;/h2,4-5,7,9-11,13-14,17,22H,1,3,6,8,12,15H2,(H2,20,23);1H
InChIKeyPPDCSVOVZDHAPW-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.00
Rot. Bonds11

About 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride

8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride (PubChem CID 45265269) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride.

Molecular Properties

Compound Name8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride
PubChem CID45265269
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride
SMILESCl.NC(=O)CCCCCC(CNS(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C19H25N3O3S.ClH/c20-19(23)12-6-1-3-8-17(16-9-7-13-21-14-16)15-22-26(24,25)18-10-4-2-5-11-18;/h2,4-5,7,9-11,13-14,17,22H,1,3,6,8,12,15H2,(H2,20,23);1H
InChIKeyPPDCSVOVZDHAPW-UHFFFAOYSA-N
XLogP3.00
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.00
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-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride?
The IUPAC name of 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride (CID 45265269) is 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride.
What is the SMILES notation for 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride?
The canonical SMILES for 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride is Cl.NC(=O)CCCCCC(CNS(=O)(=O)c1ccccc1)c1cccnc1.
What is the InChIKey of 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride?
The InChIKey is PPDCSVOVZDHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c20-19(23)12-6-1-3-8-17(16-9-7-13-21-14-16)15-22-26(24,25)18-10-4-2-5-11-18;/h2,4-5,7,9-11,13-14,17,22H,1,3,6,8,12,15H2,(H2,20,23);1H.
What are the key properties of 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride?
8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonamido)-7-pyridin-3-yloctanamide;hydrochloride is sourced from PubChem (CID 45265269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).