N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide

C13H15N5O2S — CID 71917183

IUPACN-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)c1ccc(C#N)c(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C13H15N5O2S/c1-17(2)11-5-4-10(7-14)12(6-11)16-21(19,20)13-8-18(3)9-15-13/h4-6,8-9,16H,1-3H3
InChIKeySCHNHJISUTZOSF-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.16
Rot. Bonds4

About N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide

N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 71917183) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID71917183
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCN(C)c1ccc(C#N)c(NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C13H15N5O2S/c1-17(2)11-5-4-10(7-14)12(6-11)16-21(19,20)13-8-18(3)9-15-13/h4-6,8-9,16H,1-3H3
InChIKeySCHNHJISUTZOSF-UHFFFAOYSA-N
XLogP1.16
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 62374272
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 103580545
N-[2-cyano-5-(dimethylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 154750375
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-(2-amino-4-bromophenyl)-1-methylimidazole-4-sulfonamide
CID 62374944
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
1-methyl-N-[2-(methylaminomethyl)phenyl]imidazole-4-sulfonamide
CID 55068374
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
CID 103763973
2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814330
N-(4-hydroxy-2,5-dimethylphenyl)-1-methylimidazole-4-sulfonamide
CID 106831921

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide (CID 71917183) is N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide is CN(C)c1ccc(C#N)c(NS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is SCHNHJISUTZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-17(2)11-5-4-10(7-14)12(6-11)16-21(19,20)13-8-18(3)9-15-13/h4-6,8-9,16H,1-3H3.
What are the key properties of N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide?
N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-5-(dimethylamino)phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71917183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).