N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide

C19H14ClN3O2S — CID 25267023

IUPACN-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3[nH]ccc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C19H14ClN3O2S/c20-19-18(23-26(24,25)16-4-2-1-3-5-16)11-15(12-22-19)13-6-7-17-14(10-13)8-9-21-17/h1-12,21,23H
InChIKeyCJGZSOXDOBDGPY-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.68
Rot. Bonds4

About N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 25267023) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID25267023
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC NameN-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3[nH]ccc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C19H14ClN3O2S/c20-19-18(23-26(24,25)16-4-2-1-3-5-16)11-15(12-22-19)13-6-7-17-14(10-13)8-9-21-17/h1-12,21,23H
InChIKeyCJGZSOXDOBDGPY-UHFFFAOYSA-N
XLogP4.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide (CID 25267023) is N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3[nH]ccc3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is CJGZSOXDOBDGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-19-18(23-26(24,25)16-4-2-1-3-5-16)11-15(12-22-19)13-6-7-17-14(10-13)8-9-21-17/h1-12,21,23H.
What are the key properties of N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 383.86 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 25267023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).