5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide

C13H13ClN4O2S — CID 14455751

IUPAC5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide
SMILESCc1ccc(-c2nc(C#N)n(S(=O)(=O)N(C)C)c2Cl)cc1
InChIInChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)18(11(8-15)16-12)21(19,20)17(2)3/h4-7H,1-3H3
InChIKeyXZSCFRXSCDJNDX-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.04
Rot. Bonds3

About 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide

5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide (PubChem CID 14455751) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide
PubChem CID14455751
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide
SMILESCc1ccc(-c2nc(C#N)n(S(=O)(=O)N(C)C)c2Cl)cc1
InChIInChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)18(11(8-15)16-12)21(19,20)17(2)3/h4-7H,1-3H3
InChIKeyXZSCFRXSCDJNDX-UHFFFAOYSA-N
XLogP2.04
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyazofamid
CID 9862076
4-Chloro-5-(4-methylphenyl)-1H-imidazole-2-carbonitrile
CID 10910992
4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide
CID 22737009
5-Chloro-1-(ethoxymethyl)-4-(4-methylphenyl)-2-(trifluoromethyl)imidazole
CID 141828671
4-Chloro-1-(ethoxymethyl)-5-(4-methylphenyl)-2-(trifluoromethyl)imidazole
CID 141828690
5-(2-Chloroethyl)-4-(4-fluorophenyl)-2-methylimidazole-1-sulfonic acid
CID 172823991
4-(2-Chloroethyl)-5-(4-fluorophenyl)-2-methylimidazole-1-sulfonic acid
CID 174374801
4-Chloro-2,5-diphenylimidazole-1-carbonitrile
CID 14641991
4-chloro-2-cyano-5-(4-(hydroxymethyl)phenyl)N,N-dimethyl-1h-imidazole-1-sulfonamide
CID 129837212
5-Chloro-2-(2-fluorophenyl)-1-methylimidazole-4-carbonitrile
CID 84146527
5-Chloro-2-(4-fluorophenyl)-1-methylimidazole-4-carbonitrile
CID 84146528
5-Chloro-2-(3-fluorophenyl)-1-methylimidazole-4-carbonitrile
CID 84146529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide?
The IUPAC name of 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide (CID 14455751) is 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide is Cc1ccc(-c2nc(C#N)n(S(=O)(=O)N(C)C)c2Cl)cc1.
What is the InChIKey of 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide?
The InChIKey is XZSCFRXSCDJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)18(11(8-15)16-12)21(19,20)17(2)3/h4-7H,1-3H3.
What are the key properties of 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide?
5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide is sourced from PubChem (CID 14455751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).