4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide

C26H23N3O3S — CID 55767365

IUPAC4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H23N3O3S/c1-29(25(20-10-4-2-5-11-20)24-14-8-9-19-27-24)26(30)21-15-17-22(18-16-21)28-33(31,32)23-12-6-3-7-13-23/h2-19,25,28H,1H3
InChIKeyLYKBOLXMPCBUJE-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.74
Rot. Bonds7

About 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide

4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 55767365) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID55767365
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H23N3O3S/c1-29(25(20-10-4-2-5-11-20)24-14-8-9-19-27-24)26(30)21-15-17-22(18-16-21)28-33(31,32)23-12-6-3-7-13-23/h2-19,25,28H,1H3
InChIKeyLYKBOLXMPCBUJE-UHFFFAOYSA-N
XLogP4.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide (CID 55767365) is 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide is CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is LYKBOLXMPCBUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-29(25(20-10-4-2-5-11-20)24-14-8-9-19-27-24)26(30)21-15-17-22(18-16-21)28-33(31,32)23-12-6-3-7-13-23/h2-19,25,28H,1H3.
What are the key properties of 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide?
4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 457.56 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 55767365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).