4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide

C17H17N3O3S — CID 14052838

IUPAC4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
SMILESCOc1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)cc(C)nc12
InChIInChI=1S/C17H17N3O3S/c1-11-10-15(14-4-3-5-16(23-2)17(14)19-11)20-12-6-8-13(9-7-12)24(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyVFMPVYSDUBMLML-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.94
Rot. Bonds4

About 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide

4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide (PubChem CID 14052838) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
PubChem CID14052838
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
SMILESCOc1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)cc(C)nc12
InChIInChI=1S/C17H17N3O3S/c1-11-10-15(14-4-3-5-16(23-2)17(14)19-11)20-12-6-8-13(9-7-12)24(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyVFMPVYSDUBMLML-UHFFFAOYSA-N
XLogP2.94
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 110435636
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
8-methoxy-2-methyl-N-[4-[[4-(N-pyridin-4-ylanilino)phenyl]methyl]phenyl]quinolin-4-amine
CID 137380219
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 46302335

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide (CID 14052838) is 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide is COc1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)cc(C)nc12.
What is the InChIKey of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The InChIKey is VFMPVYSDUBMLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-10-15(14-4-3-5-16(23-2)17(14)19-11)20-12-6-8-13(9-7-12)24(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 14052838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).