2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide

C15H17N3O4S — CID 6472723

IUPAC2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1OC
InChIInChI=1S/C15H17N3O4S/c1-16-15(19)13-9-12(3-4-14(13)22-2)23(20,21)18-10-11-5-7-17-8-6-11/h3-9,18H,10H2,1-2H3,(H,16,19)
InChIKeyHEOFGOINWOYBHF-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.93
Rot. Bonds6

About 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide

2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 6472723) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID6472723
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1OC
InChIInChI=1S/C15H17N3O4S/c1-16-15(19)13-9-12(3-4-14(13)22-2)23(20,21)18-10-11-5-7-17-8-6-11/h3-9,18H,10H2,1-2H3,(H,16,19)
InChIKeyHEOFGOINWOYBHF-UHFFFAOYSA-N
XLogP0.93
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 6472723) is 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide is CNC(=O)c1cc(S(=O)(=O)NCc2ccncc2)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is HEOFGOINWOYBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-16-15(19)13-9-12(3-4-14(13)22-2)23(20,21)18-10-11-5-7-17-8-6-11/h3-9,18H,10H2,1-2H3,(H,16,19).
What are the key properties of 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 335.39 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 6472723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).