N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide

C16H12ClN3O2S — CID 87570433

IUPACN-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccncc2)cnc1Cl)c1ccccc1
InChIInChI=1S/C16H12ClN3O2S/c17-16-15(20-23(21,22)14-4-2-1-3-5-14)10-13(11-19-16)12-6-8-18-9-7-12/h1-11,20H
InChIKeyZKJZIPJKNFYHRA-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.60
Rot. Bonds4

About N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide

N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 87570433) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
PubChem CID87570433
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC NameN-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccncc2)cnc1Cl)c1ccccc1
InChIInChI=1S/C16H12ClN3O2S/c17-16-15(20-23(21,22)14-4-2-1-3-5-14)10-13(11-19-16)12-6-8-18-9-7-12/h1-11,20H
InChIKeyZKJZIPJKNFYHRA-UHFFFAOYSA-N
XLogP3.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide (CID 87570433) is N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccncc2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is ZKJZIPJKNFYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-16-15(20-23(21,22)14-4-2-1-3-5-14)10-13(11-19-16)12-6-8-18-9-7-12/h1-11,20H.
What are the key properties of N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 345.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 87570433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).