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4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

C20H20N4O5S2 — CID 30396142

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H20N4O5S2/c1-14-13-15(6-11-18(14)23-30(2,26)27)20(25)22-16-7-9-17(10-8-16)31(28,29)24-19-5-3-4-12-21-19/h3-13,23H,1-2H3,(H,21,24)(H,22,25)
InChIKeyFKSGIIWGSUFRNF-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.81
Rot. Bonds7

About 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide

4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 30396142) has the molecular formula C20H20N4O5S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID30396142
Molecular FormulaC20H20N4O5S2
Molecular Weight460.54 g/mol
Exact Mass460.09
IUPAC Name4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H20N4O5S2/c1-14-13-15(6-11-18(14)23-30(2,26)27)20(25)22-16-7-9-17(10-8-16)31(28,29)24-19-5-3-4-12-21-19/h3-13,23H,1-2H3,(H,21,24)(H,22,25)
InChIKeyFKSGIIWGSUFRNF-UHFFFAOYSA-N
XLogP2.81
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (CID 30396142) is 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is FKSGIIWGSUFRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S2/c1-14-13-15(6-11-18(14)23-30(2,26)27)20(25)22-16-7-9-17(10-8-16)31(28,29)24-19-5-3-4-12-21-19/h3-13,23H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 460.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 30396142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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