2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide

C12H11N5O2S — CID 63000218

IUPAC2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc3nccnc3c2)[nH]1
InChIInChI=1S/C12H11N5O2S/c1-8-15-7-12(16-8)20(18,19)17-9-2-3-10-11(6-9)14-5-4-13-10/h2-7,17H,1H3,(H,15,16)
InChIKeyJCXQMGVBJDBMDN-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.46
Rot. Bonds3

About 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide

2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide (PubChem CID 63000218) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
PubChem CID63000218
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc3nccnc3c2)[nH]1
InChIInChI=1S/C12H11N5O2S/c1-8-15-7-12(16-8)20(18,19)17-9-2-3-10-11(6-9)14-5-4-13-10/h2-7,17H,1H3,(H,15,16)
InChIKeyJCXQMGVBJDBMDN-UHFFFAOYSA-N
XLogP1.46
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
N-(3-hydroxy-4-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64794398
2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64786558
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 63999221
2-chloro-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 63000377
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62998902
2-chloro-N-methyl-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62999870
N-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 62997996
2-methyl-N-[4-(3-methylanilino)quinazolin-6-yl]-1H-imidazole-5-sulfonamide
CID 67622725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide (CID 63000218) is 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc3nccnc3c2)[nH]1.
What is the InChIKey of 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide?
The InChIKey is JCXQMGVBJDBMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-8-15-7-12(16-8)20(18,19)17-9-2-3-10-11(6-9)14-5-4-13-10/h2-7,17H,1H3,(H,15,16).
What are the key properties of 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide?
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 63000218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).