2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide

C18H16N2O3S — CID 56684231

IUPAC2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C18H16N2O3S/c1-23-17-10-9-15(14-6-3-2-4-7-14)12-18(17)24(21,22)20-16-8-5-11-19-13-16/h2-13,20H,1H3
InChIKeyYJDKKDFKUBEGRD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.56
Rot. Bonds5

About 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide

2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 56684231) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID56684231
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C18H16N2O3S/c1-23-17-10-9-15(14-6-3-2-4-7-14)12-18(17)24(21,22)20-16-8-5-11-19-13-16/h2-13,20H,1H3
InChIKeyYJDKKDFKUBEGRD-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide (CID 56684231) is 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is YJDKKDFKUBEGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-17-10-9-15(14-6-3-2-4-7-14)12-18(17)24(21,22)20-16-8-5-11-19-13-16/h2-13,20H,1H3.
What are the key properties of 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide?
2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-phenyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 56684231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).