N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide

C19H20N2O3S — CID 110428035

IUPACN-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H20N2O3S/c1-12(2)14-5-8-17(9-6-14)25(23,24)21-16-7-4-15-10-13(3)19(22)20-18(15)11-16/h4-12,21H,1-3H3,(H,20,22)
InChIKeyBWEDTVACBILNEM-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.76
Rot. Bonds4

About N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide

N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 110428035) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID110428035
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2[nH]c1=O
InChIInChI=1S/C19H20N2O3S/c1-12(2)14-5-8-17(9-6-14)25(23,24)21-16-7-4-15-10-13(3)19(22)20-18(15)11-16/h4-12,21H,1-3H3,(H,20,22)
InChIKeyBWEDTVACBILNEM-UHFFFAOYSA-N
XLogP3.76
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
CID 110428026
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide
CID 110618969
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 71425023
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
4-(1-aminoethyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693
4-methyl-N-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]benzenesulfonamide
CID 141122627
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 110417096
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
CID 143550449

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide (CID 110428035) is N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide is Cc1cc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2[nH]c1=O.
What is the InChIKey of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is BWEDTVACBILNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12(2)14-5-8-17(9-6-14)25(23,24)21-16-7-4-15-10-13(3)19(22)20-18(15)11-16/h4-12,21H,1-3H3,(H,20,22).
What are the key properties of N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide?
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110428035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).