N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide

C18H17N3O4S — CID 34687096

IUPACN-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H17N3O4S/c1-19-26(24,25)13-6-4-5-12(9-13)11-20-18(23)15-10-17(22)21-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyURGQVYYUASQDBK-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.37
Rot. Bonds5

About N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide

N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 34687096) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID34687096
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H17N3O4S/c1-19-26(24,25)13-6-4-5-12(9-13)11-20-18(23)15-10-17(22)21-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyURGQVYYUASQDBK-UHFFFAOYSA-N
XLogP1.37
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 34687096) is N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)c1.
What is the InChIKey of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is URGQVYYUASQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-19-26(24,25)13-6-4-5-12(9-13)11-20-18(23)15-10-17(22)21-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 34687096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).