N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide

C12H11ClN2O2S — CID 113456958

IUPACN-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2O2S/c13-11-7-4-8-12(14-11)15-18(16,17)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChIKeyHYQHWABXEZAAFW-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.68
Rot. Bonds4

About N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide

N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide (PubChem CID 113456958) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide
PubChem CID113456958
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2O2S/c13-11-7-4-8-12(14-11)15-18(16,17)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
InChIKeyHYQHWABXEZAAFW-UHFFFAOYSA-N
XLogP2.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.68
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-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide (CID 113456958) is N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide?
The InChIKey is HYQHWABXEZAAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-7-4-8-12(14-11)15-18(16,17)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15).
What are the key properties of N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide?
N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 113456958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).