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

C18H16N2O3S — CID 801216

IUPACN-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)
InChIKeyLLDJWMBKQIRZGQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.98
Rot. Bonds5

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

N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide (PubChem CID 801216) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
PubChem CID801216
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)
InChIKeyLLDJWMBKQIRZGQ-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide (CID 801216) is N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
The InChIKey is LLDJWMBKQIRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide?
N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 801216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).