N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide

C16H17N3O2S — CID 126516498

IUPACN-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=CC=CC3C=CC=NC23)c(N)c1
InChIInChI=1S/C16H17N3O2S/c1-11-7-8-15(13(17)10-11)22(20,21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10,12,16,19H,17H2,1H3
InChIKeyKUOICNVXMYKISX-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.93
Rot. Bonds3

About N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide

N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide (PubChem CID 126516498) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide
PubChem CID126516498
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=CC=CC3C=CC=NC23)c(N)c1
InChIInChI=1S/C16H17N3O2S/c1-11-7-8-15(13(17)10-11)22(20,21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10,12,16,19H,17H2,1H3
InChIKeyKUOICNVXMYKISX-UHFFFAOYSA-N
XLogP1.93
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 43258819
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43258247
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843630

Frequently Asked Questions

What is the IUPAC name of N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide?
The IUPAC name of N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide (CID 126516498) is N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=CC=CC3C=CC=NC23)c(N)c1.
What is the InChIKey of N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide?
The InChIKey is KUOICNVXMYKISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-7-8-15(13(17)10-11)22(20,21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10,12,16,19H,17H2,1H3.
What are the key properties of N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide?
N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide is sourced from PubChem (CID 126516498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).