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

C22H23Cl2N3O2S — CID 66803497

IUPAC3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2
InChIKeyHQRNKAQTZUDDEM-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.93
Rot. Bonds7

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

3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide (PubChem CID 66803497) has the molecular formula C22H23Cl2N3O2S and a molecular weight of 464.42 g/mol. Its IUPAC name is 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
PubChem CID66803497
Molecular FormulaC22H23Cl2N3O2S
Molecular Weight464.42 g/mol
Exact Mass463.09
IUPAC Name3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2
InChIKeyHQRNKAQTZUDDEM-UHFFFAOYSA-N
XLogP4.93
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.93
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 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide (CID 66803497) is 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide is O=S(=O)(NCCCN1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
The InChIKey is HQRNKAQTZUDDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2.
What are the key properties of 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide?
3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide has a molecular weight of 464.42 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 66803497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).