4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide

C20H24N4O2S — CID 3340734

IUPAC4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N4O2S/c1-3-4-7-14-21-19-20(23-18-9-6-5-8-17(18)22-19)24-27(25,26)16-12-10-15(2)11-13-16/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyHPSLLHBFXYQKPL-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.34
Rot. Bonds8

About 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide

4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 3340734) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID3340734
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Name4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N4O2S/c1-3-4-7-14-21-19-20(23-18-9-6-5-8-17(18)22-19)24-27(25,26)16-12-10-15(2)11-13-16/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyHPSLLHBFXYQKPL-UHFFFAOYSA-N
XLogP4.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium
CID 8833941
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2921932
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-methyl-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3656930
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide (CID 3340734) is 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide is CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is HPSLLHBFXYQKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-3-4-7-14-21-19-20(23-18-9-6-5-8-17(18)22-19)24-27(25,26)16-12-10-15(2)11-13-16/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide?
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3340734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).