N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide

C11H11N5O2S — CID 62374272

IUPACN-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N)cc2C#N)c1
InChIInChI=1S/C11H11N5O2S/c1-16-6-11(14-7-16)19(17,18)15-10-3-2-9(13)4-8(10)5-12/h2-4,6-7,15H,13H2,1H3
InChIKeyGABOVWVVHFBFCT-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.67
Rot. Bonds3

About N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide

N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 62374272) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID62374272
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N)cc2C#N)c1
InChIInChI=1S/C11H11N5O2S/c1-16-6-11(14-7-16)19(17,18)15-10-3-2-9(13)4-8(10)5-12/h2-4,6-7,15H,13H2,1H3
InChIKeyGABOVWVVHFBFCT-UHFFFAOYSA-N
XLogP0.67
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
CID 71917183
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 103580545
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
3-chloro-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl chloride
CID 62375451
N-[2-(3-aminoprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375470
N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929854
N-(4-amino-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 43550814
N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
CID 103763973
3-bromo-N'-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzenecarboximidamide
CID 107790886

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide (CID 62374272) is N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(N)cc2C#N)c1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is GABOVWVVHFBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-16-6-11(14-7-16)19(17,18)15-10-3-2-9(13)4-8(10)5-12/h2-4,6-7,15H,13H2,1H3.
What are the key properties of N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62374272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).