4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide

C26H23N3O3S — CID 1357171

IUPAC4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3S/c30-26(28-19-21-9-3-1-4-10-21)23-16-14-22(15-17-23)20-29(25-13-7-8-18-27-25)33(31,32)24-11-5-2-6-12-24/h1-18H,19-20H2,(H,28,30)
InChIKeyOGJOMPRTBXVYFK-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.41
Rot. Bonds8

About 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide

4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide (PubChem CID 1357171) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide.

Molecular Properties

Compound Name4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide
PubChem CID1357171
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O3S/c30-26(28-19-21-9-3-1-4-10-21)23-16-14-22(15-17-23)20-29(25-13-7-8-18-27-25)33(31,32)24-11-5-2-6-12-24/h1-18H,19-20H2,(H,28,30)
InChIKeyOGJOMPRTBXVYFK-UHFFFAOYSA-N
XLogP4.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide?
The IUPAC name of 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide (CID 1357171) is 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide.
What is the SMILES notation for 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide?
The canonical SMILES for 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide is O=C(NCc1ccccc1)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide?
The InChIKey is OGJOMPRTBXVYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c30-26(28-19-21-9-3-1-4-10-21)23-16-14-22(15-17-23)20-29(25-13-7-8-18-27-25)33(31,32)24-11-5-2-6-12-24/h1-18H,19-20H2,(H,28,30).
What are the key properties of 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide?
4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide has a molecular weight of 457.56 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzenesulfonyl(pyridin-2-yl)amino]methyl]-N-benzylbenzamide is sourced from PubChem (CID 1357171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).