N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide

C17H17N3O2S — CID 110869539

IUPACN,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-12-4-7-17(13(2)10-12)23(21,22)20(3)14-5-6-15-16(11-14)19-9-8-18-15/h4-11H,1-3H3
InChIKeyHSOVIDBQWOIHFG-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.07
Rot. Bonds3

About N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide

N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide (PubChem CID 110869539) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
PubChem CID110869539
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-12-4-7-17(13(2)10-12)23(21,22)20(3)14-5-6-15-16(11-14)19-9-8-18-15/h4-11H,1-3H3
InChIKeyHSOVIDBQWOIHFG-UHFFFAOYSA-N
XLogP3.07
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869565
N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110869231
N-(1,3-benzodioxol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110752738
4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869536
4-amino-N-(3,5-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002768
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110869442
N,2,4-trimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716059
2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide
CID 24629182
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 114625565
N-(1-chloropropan-2-yl)-N,2,4-trimethylbenzenesulfonamide
CID 104556527
N-(2-aminopropyl)-N,2,4-trimethylbenzenesulfonamide
CID 63766579

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The IUPAC name of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide (CID 110869539) is N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide.
What is the SMILES notation for N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The canonical SMILES for N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3nccnc3c2)c(C)c1.
What is the InChIKey of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The InChIKey is HSOVIDBQWOIHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-4-7-17(13(2)10-12)23(21,22)20(3)14-5-6-15-16(11-14)19-9-8-18-15/h4-11H,1-3H3.
What are the key properties of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide is sourced from PubChem (CID 110869539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).