3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium

C19H23ClN5O2S+ — CID 8833941

IUPAC3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN5O2S/c1-25(2)13-5-12-21-18-19(23-17-7-4-3-6-16(17)22-18)24-28(26,27)15-10-8-14(20)9-11-15/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,22)(H,23,24)/p+1
InChIKeyWUXGNCNPLJOXLT-UHFFFAOYSA-O
MW420.95 g/mol
LogP2.03
Rot. Bonds8

About 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium

3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium (PubChem CID 8833941) has the molecular formula C19H23ClN5O2S+ and a molecular weight of 420.95 g/mol. Its IUPAC name is 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium
PubChem CID8833941
Molecular FormulaC19H23ClN5O2S+
Molecular Weight420.95 g/mol
Exact Mass420.13
IUPAC Name3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN5O2S/c1-25(2)13-5-12-21-18-19(23-17-7-4-3-6-16(17)22-18)24-28(26,27)15-10-8-14(20)9-11-15/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,22)(H,23,24)/p+1
InChIKeyWUXGNCNPLJOXLT-UHFFFAOYSA-O
XLogP2.03
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25040610
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 4122196
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
CID 133434691

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium (CID 8833941) is 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium is C[NH+](C)CCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium?
The InChIKey is WUXGNCNPLJOXLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN5O2S/c1-25(2)13-5-12-21-18-19(23-17-7-4-3-6-16(17)22-18)24-28(26,27)15-10-8-14(20)9-11-15/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,22)(H,23,24)/p+1.
What are the key properties of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium?
3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium has a molecular weight of 420.95 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]propyl-dimethylazanium is sourced from PubChem (CID 8833941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).