N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide

C17H13ClN2O2S — CID 25266674

IUPACN-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H
InChIKeyBKSZOJANUXVKCU-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.20
Rot. Bonds4

About N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide

N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide (PubChem CID 25266674) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
PubChem CID25266674
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC NameN-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H
InChIKeyBKSZOJANUXVKCU-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
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-phenyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide (CID 25266674) is N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is BKSZOJANUXVKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H.
What are the key properties of N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide?
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 344.82 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 25266674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).