4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide

C23H25Cl2N3O2S — CID 56944862

IUPAC4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl2N3O2S/c24-18-3-6-20(7-4-18)31(29,30)27-11-1-2-12-28-13-9-17(10-14-28)22-16-26-23-8-5-19(25)15-21(22)23/h3-9,15-16,26-27H,1-2,10-14H2
InChIKeyOLGZPJJHZDCBMO-UHFFFAOYSA-N
MW478.45 g/mol
LogP5.32
Rot. Bonds8

About 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide

4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide (PubChem CID 56944862) has the molecular formula C23H25Cl2N3O2S and a molecular weight of 478.45 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide
PubChem CID56944862
Molecular FormulaC23H25Cl2N3O2S
Molecular Weight478.45 g/mol
Exact Mass477.10
IUPAC Name4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25Cl2N3O2S/c24-18-3-6-20(7-4-18)31(29,30)27-11-1-2-12-28-13-9-17(10-14-28)22-16-26-23-8-5-19(25)15-21(22)23/h3-9,15-16,26-27H,1-2,10-14H2
InChIKeyOLGZPJJHZDCBMO-UHFFFAOYSA-N
XLogP5.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.45
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide (CID 56944862) is 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide is O=S(=O)(NCCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide?
The InChIKey is OLGZPJJHZDCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2S/c24-18-3-6-20(7-4-18)31(29,30)27-11-1-2-12-28-13-9-17(10-14-28)22-16-26-23-8-5-19(25)15-21(22)23/h3-9,15-16,26-27H,1-2,10-14H2.
What are the key properties of 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide?
4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide has a molecular weight of 478.45 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]benzenesulfonamide is sourced from PubChem (CID 56944862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).