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

C11H9ClN4O2S — CID 153167437

IUPAC4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide
SMILESCc1ccc(-c2c(Cl)nc(C#N)n2S(N)(=O)=O)cc1
InChIInChI=1S/C11H9ClN4O2S/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)16(10)19(14,17)18/h2-5H,1H3,(H2,14,17,18)
InChIKeyWDNRNNCVHABWHG-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.44
Rot. Bonds2

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

4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide (PubChem CID 153167437) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide
PubChem CID153167437
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide
SMILESCc1ccc(-c2c(Cl)nc(C#N)n2S(N)(=O)=O)cc1
InChIInChI=1S/C11H9ClN4O2S/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)16(10)19(14,17)18/h2-5H,1H3,(H2,14,17,18)
InChIKeyWDNRNNCVHABWHG-UHFFFAOYSA-N
XLogP1.44
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide?
The IUPAC name of 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide (CID 153167437) is 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide.
What is the SMILES notation for 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide?
The canonical SMILES for 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide is Cc1ccc(-c2c(Cl)nc(C#N)n2S(N)(=O)=O)cc1.
What is the InChIKey of 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide?
The InChIKey is WDNRNNCVHABWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)16(10)19(14,17)18/h2-5H,1H3,(H2,14,17,18).
What are the key properties of 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide?
4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide has a molecular weight of 296.74 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyano-5-(4-methylphenyl)imidazole-1-sulfonamide is sourced from PubChem (CID 153167437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).