N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide

C17H17N3O2S — CID 110723878

IUPACN-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C17H17N3O2S/c1-11-6-4-5-7-17(11)23(21,22)20-14-8-9-15-16(10-14)19-13(3)12(2)18-15/h4-10,20H,1-3H3
InChIKeyNJPRIFAOEHFFNP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.36
Rot. Bonds3

About N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide

N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide (PubChem CID 110723878) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide
PubChem CID110723878
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C17H17N3O2S/c1-11-6-4-5-7-17(11)23(21,22)20-14-8-9-15-16(10-14)19-13(3)12(2)18-15/h4-10,20H,1-3H3
InChIKeyNJPRIFAOEHFFNP-UHFFFAOYSA-N
XLogP3.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
2-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729408

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide (CID 110723878) is N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide?
The InChIKey is NJPRIFAOEHFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-6-4-5-7-17(11)23(21,22)20-14-8-9-15-16(10-14)19-13(3)12(2)18-15/h4-10,20H,1-3H3.
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide?
N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 110723878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).