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

C13H13ClN4O2S — CID 14455982

IUPAC4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide
SMILESCc1ccccc1-c1c(Cl)nc(C#N)n1S(=O)(=O)N(C)C
InChIInChI=1S/C13H13ClN4O2S/c1-9-6-4-5-7-10(9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
InChIKeyMMJNOSVSXSREFT-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.04
Rot. Bonds3

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

4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide (PubChem CID 14455982) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide
PubChem CID14455982
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide
SMILESCc1ccccc1-c1c(Cl)nc(C#N)n1S(=O)(=O)N(C)C
InChIInChI=1S/C13H13ClN4O2S/c1-9-6-4-5-7-10(9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
InChIKeyMMJNOSVSXSREFT-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide?
The IUPAC name of 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide (CID 14455982) is 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide.
What is the SMILES notation for 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide?
The canonical SMILES for 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide is Cc1ccccc1-c1c(Cl)nc(C#N)n1S(=O)(=O)N(C)C.
What is the InChIKey of 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide?
The InChIKey is MMJNOSVSXSREFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-9-6-4-5-7-10(9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3.
What are the key properties of 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide?
4-chloro-2-cyano-N,N-dimethyl-5-(2-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 4-chloro-2-cyano-N,N-dimethyl-5-(2-methylphenyl)imidazole-1-sulfonamide is sourced from PubChem (CID 14455982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).