4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide

C24H20N2O2S — CID 118720913

IUPAC4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2ncccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c27-29(28,26-22-11-5-2-6-12-22)23-15-13-20(14-16-23)24-21(10-7-17-25-24)18-19-8-3-1-4-9-19/h1-17,26H,18H2
InChIKeyDMUATXJZGOPROG-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.14
Rot. Bonds6

About 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide

4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide (PubChem CID 118720913) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide
PubChem CID118720913
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(-c2ncccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c27-29(28,26-22-11-5-2-6-12-22)23-15-13-20(14-16-23)24-21(10-7-17-25-24)18-19-8-3-1-4-9-19/h1-17,26H,18H2
InChIKeyDMUATXJZGOPROG-UHFFFAOYSA-N
XLogP5.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide (CID 118720913) is 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(-c2ncccc2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide?
The InChIKey is DMUATXJZGOPROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-29(28,26-22-11-5-2-6-12-22)23-15-13-20(14-16-23)24-21(10-7-17-25-24)18-19-8-3-1-4-9-19/h1-17,26H,18H2.
What are the key properties of 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide?
4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-2-pyridinyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 118720913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).