N-heptyl-8-methoxyquinoline-5-sulfonamide

C17H24N2O3S — CID 594128

IUPACN-heptyl-8-methoxyquinoline-5-sulfonamide
SMILESCCCCCCCNS(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C17H24N2O3S/c1-3-4-5-6-7-13-19-23(20,21)16-11-10-15(22-2)17-14(16)9-8-12-18-17/h8-12,19H,3-7,13H2,1-2H3
InChIKeyAXUHRNRTIMFGCJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.49
Rot. Bonds9

About N-heptyl-8-methoxyquinoline-5-sulfonamide

N-heptyl-8-methoxyquinoline-5-sulfonamide (PubChem CID 594128) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-heptyl-8-methoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-heptyl-8-methoxyquinoline-5-sulfonamide
PubChem CID594128
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-heptyl-8-methoxyquinoline-5-sulfonamide
SMILESCCCCCCCNS(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C17H24N2O3S/c1-3-4-5-6-7-13-19-23(20,21)16-11-10-15(22-2)17-14(16)9-8-12-18-17/h8-12,19H,3-7,13H2,1-2H3
InChIKeyAXUHRNRTIMFGCJ-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-heptyl-8-methoxyquinoline-5-sulfonamide 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

8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
CID 624168
8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3684734
8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
CID 126478575
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
N-butylquinoline-8-sulfonamide
CID 2068304

Frequently Asked Questions

What is the IUPAC name of N-heptyl-8-methoxyquinoline-5-sulfonamide?
The IUPAC name of N-heptyl-8-methoxyquinoline-5-sulfonamide (CID 594128) is N-heptyl-8-methoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-heptyl-8-methoxyquinoline-5-sulfonamide?
The canonical SMILES for N-heptyl-8-methoxyquinoline-5-sulfonamide is CCCCCCCNS(=O)(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of N-heptyl-8-methoxyquinoline-5-sulfonamide?
The InChIKey is AXUHRNRTIMFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-4-5-6-7-13-19-23(20,21)16-11-10-15(22-2)17-14(16)9-8-12-18-17/h8-12,19H,3-7,13H2,1-2H3.
What are the key properties of N-heptyl-8-methoxyquinoline-5-sulfonamide?
N-heptyl-8-methoxyquinoline-5-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-8-methoxyquinoline-5-sulfonamide is sourced from PubChem (CID 594128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).