N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide

C16H15N3O2S — CID 110869565

IUPACN,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)c1ccc2nccnc2c1
InChIInChI=1S/C16H15N3O2S/c1-12-5-3-4-6-16(12)22(20,21)19(2)13-7-8-14-15(11-13)18-10-9-17-14/h3-11H,1-2H3
InChIKeyJUWXTIRLEPQTLV-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.76
Rot. Bonds3

About N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide

N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide (PubChem CID 110869565) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide
PubChem CID110869565
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)c1ccc2nccnc2c1
InChIInChI=1S/C16H15N3O2S/c1-12-5-3-4-6-16(12)22(20,21)19(2)13-7-8-14-15(11-13)18-10-9-17-14/h3-11H,1-2H3
InChIKeyJUWXTIRLEPQTLV-UHFFFAOYSA-N
XLogP2.76
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869539
N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106937622
4-chloro-N-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110869536
N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinoxalin-6-ylpropanamide
CID 118038545
N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide
CID 110869267
N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110869231
N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723615
4-[(2-fluoro-3-methylphenyl)sulfonyl-methylamino]benzoic acid
CID 138044023
N-methyl-N-(4-methylphenyl)pyridine-2-sulfonamide
CID 71774254
4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110869442
3-[methyl-(2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597154
N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide (CID 110869565) is N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)c1ccc2nccnc2c1.
What is the InChIKey of N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The InChIKey is JUWXTIRLEPQTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-5-3-4-6-16(12)22(20,21)19(2)13-7-8-14-15(11-13)18-10-9-17-14/h3-11H,1-2H3.
What are the key properties of N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-quinoxalin-6-ylbenzenesulfonamide is sourced from PubChem (CID 110869565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).