4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

C21H21N3O4S — CID 984439

IUPAC4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1
InChIInChI=1S/C21H21N3O4S/c1-28-19-6-4-7-20(13-19)29(26,27)24-14-16-8-10-17(11-9-16)21(25)23-15-18-5-2-3-12-22-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyNIHSPZBLFJCBBJ-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.50
Rot. Bonds8

About 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 984439) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID984439
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1
InChIInChI=1S/C21H21N3O4S/c1-28-19-6-4-7-20(13-19)29(26,27)24-14-16-8-10-17(11-9-16)21(25)23-15-18-5-2-3-12-22-18/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyNIHSPZBLFJCBBJ-UHFFFAOYSA-N
XLogP2.50
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 984439) is 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1.
What is the InChIKey of 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NIHSPZBLFJCBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-28-19-6-4-7-20(13-19)29(26,27)24-14-16-8-10-17(11-9-16)21(25)23-15-18-5-2-3-12-22-18/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 984439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).