4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide

C20H23N3O2S — CID 131931964

IUPAC4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H23N3O2S/c1-16-7-11-19(12-8-16)26(24,25)22-14-4-13-21-15-18-10-9-17-5-2-3-6-20(17)23-18/h2-3,5-12,21-22H,4,13-15H2,1H3
InChIKeyLKPLTHJWRJPDMM-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.00
Rot. Bonds8

About 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide

4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide (PubChem CID 131931964) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide
PubChem CID131931964
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H23N3O2S/c1-16-7-11-19(12-8-16)26(24,25)22-14-4-13-21-15-18-10-9-17-5-2-3-6-20(17)23-18/h2-3,5-12,21-22H,4,13-15H2,1H3
InChIKeyLKPLTHJWRJPDMM-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
CID 129271456
4-methyl-N-[3-(13-thia-2,4,22-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaen-2-yl)propyl]benzenesulfonamide
CID 24858475
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869626
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734118
4-methyl-N-[3-[[1-(2-methylphenyl)pyrazol-4-yl]methylamino]propyl]benzenesulfonamide
CID 131938755
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide (CID 131931964) is 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCNCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide?
The InChIKey is LKPLTHJWRJPDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-16-7-11-19(12-8-16)26(24,25)22-14-4-13-21-15-18-10-9-17-5-2-3-6-20(17)23-18/h2-3,5-12,21-22H,4,13-15H2,1H3.
What are the key properties of 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide?
4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 131931964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).