3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide

C17H18N4O2S — CID 155380991

IUPAC3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide
SMILESCNCc1ccc2cccc(NS(=O)(=O)c3cccc(N)c3)c2n1
InChIInChI=1S/C17H18N4O2S/c1-19-11-14-9-8-12-4-2-7-16(17(12)20-14)21-24(22,23)15-6-3-5-13(18)10-15/h2-10,19,21H,11,18H2,1H3
InChIKeyMFYLUQASMKTPSC-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.34
Rot. Bonds5

About 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide

3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide (PubChem CID 155380991) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide
PubChem CID155380991
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide
SMILESCNCc1ccc2cccc(NS(=O)(=O)c3cccc(N)c3)c2n1
InChIInChI=1S/C17H18N4O2S/c1-19-11-14-9-8-12-4-2-7-16(17(12)20-14)21-24(22,23)15-6-3-5-13(18)10-15/h2-10,19,21H,11,18H2,1H3
InChIKeyMFYLUQASMKTPSC-UHFFFAOYSA-N
XLogP2.34
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide
CID 155381106
1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide
CID 155381241
N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide
CID 155381140
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 155381016
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 148662887
3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 140762991
N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]ethyl]acetamide
CID 142610126

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide (CID 155380991) is 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide is CNCc1ccc2cccc(NS(=O)(=O)c3cccc(N)c3)c2n1.
What is the InChIKey of 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide?
The InChIKey is MFYLUQASMKTPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-19-11-14-9-8-12-4-2-7-16(17(12)20-14)21-24(22,23)15-6-3-5-13(18)10-15/h2-10,19,21H,11,18H2,1H3.
What are the key properties of 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide?
3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide is sourced from PubChem (CID 155380991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).