N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide

C23H19N5O2S — CID 2324987

IUPACN,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1
InChIInChI=1S/C23H19N5O2S/c1-16-12-14-18(15-13-16)31(29,30)27(2)22-23-26-25-21(17-8-4-3-5-9-17)28(23)20-11-7-6-10-19(20)24-22/h3-15H,1-2H3
InChIKeyVSYVSBBWNRWAPV-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.08
Rot. Bonds4

About N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide

N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide (PubChem CID 2324987) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide
PubChem CID2324987
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC NameN,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1
InChIInChI=1S/C23H19N5O2S/c1-16-12-14-18(15-13-16)31(29,30)27(2)22-23-26-25-21(17-8-4-3-5-9-17)28(23)20-11-7-6-10-19(20)24-22/h3-15H,1-2H3
InChIKeyVSYVSBBWNRWAPV-UHFFFAOYSA-N
XLogP4.08
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-N,4-dimethylbenzenesulfonamide
CID 2453226
1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11580142
N,4-dimethyl-N-[4-methyl-3-phenyl-6-(trifluoromethyl)quinolin-2-yl]benzenesulfonamide
CID 166443859
N,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2569182
3-nitro-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide
CID 4304675
N-[3-(3-methoxypropylamino)quinoxalin-2-yl]-N,4-dimethylbenzenesulfonamide
CID 8005322
N-(5-bromo-3-formylquinolin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 164679221
1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline
CID 171987938
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-(2,4-dimethylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082823
N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide
CID 177478760
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide (CID 2324987) is N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1.
What is the InChIKey of N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide?
The InChIKey is VSYVSBBWNRWAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-16-12-14-18(15-13-16)31(29,30)27(2)22-23-26-25-21(17-8-4-3-5-9-17)28(23)20-11-7-6-10-19(20)24-22/h3-15H,1-2H3.
What are the key properties of N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide?
N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2324987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).