3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

C20H19N3O3S — CID 9414558

IUPAC3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H19N3O3S/c24-20(22-15-18-10-4-5-12-21-18)17-9-6-11-19(13-17)27(25,26)23-14-16-7-2-1-3-8-16/h1-13,23H,14-15H2,(H,22,24)
InChIKeyBPFYGTYAFCVUAQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.49
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide

3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 9414558) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID9414558
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H19N3O3S/c24-20(22-15-18-10-4-5-12-21-18)17-9-6-11-19(13-17)27(25,26)23-14-16-7-2-1-3-8-16/h1-13,23H,14-15H2,(H,22,24)
InChIKeyBPFYGTYAFCVUAQ-UHFFFAOYSA-N
XLogP2.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide (CID 9414558) is 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BPFYGTYAFCVUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-20(22-15-18-10-4-5-12-21-18)17-9-6-11-19(13-17)27(25,26)23-14-16-7-2-1-3-8-16/h1-13,23H,14-15H2,(H,22,24).
What are the key properties of 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide?
3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 9414558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).