N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide

C18H16N2O2S — CID 4982676

IUPACN-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H16N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)
InChIKeyYZJZXSPOKXCKDN-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.86
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide

N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide (PubChem CID 4982676) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide
PubChem CID4982676
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H16N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)
InChIKeyYZJZXSPOKXCKDN-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide (CID 4982676) is N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide?
The InChIKey is YZJZXSPOKXCKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-14-6-5-9-18(19-14)20-23(21,22)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide?
N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 4982676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).