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

C11H10ClN3O2S — CID 155537016

IUPACN-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccncc2)cnc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)15-10-6-9(7-14-11(10)12)8-2-4-13-5-3-8/h2-7,15H,1H3
InChIKeyKDSFLYIZGIJKAW-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.17
Rot. Bonds3

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

N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide (PubChem CID 155537016) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide
PubChem CID155537016
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC NameN-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccncc2)cnc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-18(16,17)15-10-6-9(7-14-11(10)12)8-2-4-13-5-3-8/h2-7,15H,1H3
InChIKeyKDSFLYIZGIJKAW-UHFFFAOYSA-N
XLogP2.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.17
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)methanesulfonamide?
The IUPAC name of N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide (CID 155537016) is N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccncc2)cnc1Cl.
What is the InChIKey of N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide?
The InChIKey is KDSFLYIZGIJKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-18(16,17)15-10-6-9(7-14-11(10)12)8-2-4-13-5-3-8/h2-7,15H,1H3.
What are the key properties of N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide?
N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 2.17, 3 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)methanesulfonamide is sourced from PubChem (CID 155537016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).