N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide

C13H12N4O3S — CID 71271553

IUPACN-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3cnc[nH]3)ccc2[nH]c1=O
InChIInChI=1S/C13H12N4O3S/c1-8-4-9-5-10(2-3-11(9)16-13(8)18)17-21(19,20)12-6-14-7-15-12/h2-7,17H,1H3,(H,14,15)(H,16,18)
InChIKeyZXBCESZJAQOZDV-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.36
Rot. Bonds3

About N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide

N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide (PubChem CID 71271553) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
PubChem CID71271553
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3cnc[nH]3)ccc2[nH]c1=O
InChIInChI=1S/C13H12N4O3S/c1-8-4-9-5-10(2-3-11(9)16-13(8)18)17-21(19,20)12-6-14-7-15-12/h2-7,17H,1H3,(H,14,15)(H,16,18)
InChIKeyZXBCESZJAQOZDV-UHFFFAOYSA-N
XLogP1.36
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide (CID 71271553) is N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide is Cc1cc2cc(NS(=O)(=O)c3cnc[nH]3)ccc2[nH]c1=O.
What is the InChIKey of N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is ZXBCESZJAQOZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-8-4-9-5-10(2-3-11(9)16-13(8)18)17-21(19,20)12-6-14-7-15-12/h2-7,17H,1H3,(H,14,15)(H,16,18).
What are the key properties of N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide?
N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1H-quinolin-6-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 71271553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).