N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide

C23H19N3O3S — CID 11384528

IUPACN-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-23(18-6-2-1-3-7-18)26-21-10-11-22(20-9-5-4-8-19(20)21)30(28,29)25-16-17-12-14-24-15-13-17/h1-15,25H,16H2,(H,26,27)
InChIKeyIEOQBNYYSAIFCL-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.97
Rot. Bonds6

About N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide

N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide (PubChem CID 11384528) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide
PubChem CID11384528
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-23(18-6-2-1-3-7-18)26-21-10-11-22(20-9-5-4-8-19(20)21)30(28,29)25-16-17-12-14-24-15-13-17/h1-15,25H,16H2,(H,26,27)
InChIKeyIEOQBNYYSAIFCL-UHFFFAOYSA-N
XLogP3.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide?
The IUPAC name of N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide (CID 11384528) is N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccncc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide?
The InChIKey is IEOQBNYYSAIFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-23(18-6-2-1-3-7-18)26-21-10-11-22(20-9-5-4-8-19(20)21)30(28,29)25-16-17-12-14-24-15-13-17/h1-15,25H,16H2,(H,26,27).
What are the key properties of N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide?
N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethylsulfamoyl)naphthalen-1-yl]benzamide is sourced from PubChem (CID 11384528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).