N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide

C17H15N3O2S — CID 110454365

IUPACN-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)nc1
InChIInChI=1S/C17H15N3O2S/c1-13-2-7-17(19-12-13)20-23(21,22)16-5-3-14(4-6-16)15-8-10-18-11-9-15/h2-12H,1H3,(H,19,20)
InChIKeyKQNMHASXAFQABU-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.25
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide

N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide (PubChem CID 110454365) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
PubChem CID110454365
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)nc1
InChIInChI=1S/C17H15N3O2S/c1-13-2-7-17(19-12-13)20-23(21,22)16-5-3-14(4-6-16)15-8-10-18-11-9-15/h2-12H,1H3,(H,19,20)
InChIKeyKQNMHASXAFQABU-UHFFFAOYSA-N
XLogP3.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 29054363
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide (CID 110454365) is N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide?
The InChIKey is KQNMHASXAFQABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-13-2-7-17(19-12-13)20-23(21,22)16-5-3-14(4-6-16)15-8-10-18-11-9-15/h2-12H,1H3,(H,19,20).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide?
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 110454365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).