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

C16H17ClN6O2S — CID 118235998

IUPAC4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole
SMILESCc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1.c1c[nH]cn1
InChIInChI=1S/C13H13ClN4O2S.C3H4N2/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3;1-2-5-3-4-1/h4-7H,1-3H3;1-3H,(H,4,5)
InChIKeyLMZVZJSJYOFJAC-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.45
Rot. Bonds3

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

4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole (PubChem CID 118235998) has the molecular formula C16H17ClN6O2S and a molecular weight of 392.87 g/mol. Its IUPAC name is 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole.

Molecular Properties

Compound Name4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole
PubChem CID118235998
Molecular FormulaC16H17ClN6O2S
Molecular Weight392.87 g/mol
Exact Mass392.08
IUPAC Name4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole
SMILESCc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1.c1c[nH]cn1
InChIInChI=1S/C13H13ClN4O2S.C3H4N2/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3;1-2-5-3-4-1/h4-7H,1-3H3;1-3H,(H,4,5)
InChIKeyLMZVZJSJYOFJAC-UHFFFAOYSA-N
XLogP2.45
TPSA107.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole?
The IUPAC name of 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole (CID 118235998) is 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole.
What is the SMILES notation for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole?
The canonical SMILES for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole is Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1.c1c[nH]cn1.
What is the InChIKey of 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole?
The InChIKey is LMZVZJSJYOFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S.C3H4N2/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3;1-2-5-3-4-1/h4-7H,1-3H3;1-3H,(H,4,5).
What are the key properties of 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole?
4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole has a molecular weight of 392.87 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide;1H-imidazole is sourced from PubChem (CID 118235998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).