N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide

C15H17N3O3S — CID 33117105

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-16-22(20,21)11-13-7-5-12(6-8-13)10-18-15(19)14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyCQZWQWISKLNGNV-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.06
Rot. Bonds6

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 33117105) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID33117105
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C15H17N3O3S/c1-16-22(20,21)11-13-7-5-12(6-8-13)10-18-15(19)14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyCQZWQWISKLNGNV-UHFFFAOYSA-N
XLogP1.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide (CID 33117105) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is CQZWQWISKLNGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-16-22(20,21)11-13-7-5-12(6-8-13)10-18-15(19)14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 33117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).