N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide

C17H17N3O2S2 — CID 2319163

IUPACN,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
SMILESCSc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17N3O2S2/c1-12-8-10-13(11-9-12)24(21,22)20(2)16-17(23-3)19-15-7-5-4-6-14(15)18-16/h4-11H,1-3H3
InChIKeyQBOOIGLJXFEBFN-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.49
Rot. Bonds4

About N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide

N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide (PubChem CID 2319163) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
PubChem CID2319163
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide
SMILESCSc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17N3O2S2/c1-12-8-10-13(11-9-12)24(21,22)20(2)16-17(23-3)19-15-7-5-4-6-14(15)18-16/h4-11H,1-3H3
InChIKeyQBOOIGLJXFEBFN-UHFFFAOYSA-N
XLogP3.49
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2339194
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670250
3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663
[(4-Methylphenyl)sulfonyl](3-morpholin-4-ylquinoxalin-2-yl)amine
CID 2305758
2-(4-Methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
CID 661002
2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
CID 663530
2-(3-Methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile
CID 664808
N-(3-chloroquinoxalin-2-yl)-N-methylbenzenesulfonamide
CID 2340629
allyl 1-[(4-methylphenyl)sulfonyl]-1H-benzimidazol-2-yl sulfide
CID 4642224
[(3,4-Dimethylphenyl)sulfonyl][3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
CID 5200900

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide (CID 2319163) is N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide is CSc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is QBOOIGLJXFEBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-12-8-10-13(11-9-12)24(21,22)20(2)16-17(23-3)19-15-7-5-4-6-14(15)18-16/h4-11H,1-3H3.
What are the key properties of N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide?
N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(3-methylsulfanylquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 2319163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).