N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide

C18H19N3O3S — CID 22548598

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-21(2)15-6-3-13(4-7-15)12-19-25(23,24)16-8-9-17-14(11-16)5-10-18(22)20-17/h3-11,19H,12H2,1-2H3,(H,20,22)
InChIKeyCSNKQRABNUFNOU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.07
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide

N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 22548598) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID22548598
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1
InChIInChI=1S/C18H19N3O3S/c1-21(2)15-6-3-13(4-7-15)12-19-25(23,24)16-8-9-17-14(11-16)5-10-18(22)20-17/h3-11,19H,12H2,1-2H3,(H,20,22)
InChIKeyCSNKQRABNUFNOU-UHFFFAOYSA-N
XLogP2.07
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]benzenesulfonamide
CID 3822716
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9031927
2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide
CID 22548573
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
N-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660467
N-[3-(azepan-1-yl)propyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548591
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692415
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46361480
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide (CID 22548598) is N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is CSNKQRABNUFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21(2)15-6-3-13(4-7-15)12-19-25(23,24)16-8-9-17-14(11-16)5-10-18(22)20-17/h3-11,19H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22548598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).