N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide

C11H12ClN3O2S — CID 86079936

IUPACN-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide
SMILESCc1nccn1S(=O)(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S/c1-9-13-7-8-15(9)18(16,17)14(2)11-5-3-10(12)4-6-11/h3-8H,1-2H3
InChIKeyBBYSAPLMHBSBNG-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.07
Rot. Bonds3

About N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide

N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide (PubChem CID 86079936) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide
PubChem CID86079936
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC NameN-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide
SMILESCc1nccn1S(=O)(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S/c1-9-13-7-8-15(9)18(16,17)14(2)11-5-3-10(12)4-6-11/h3-8H,1-2H3
InChIKeyBBYSAPLMHBSBNG-UHFFFAOYSA-N
XLogP2.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide (CID 86079936) is N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide is Cc1nccn1S(=O)(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide?
The InChIKey is BBYSAPLMHBSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-9-13-7-8-15(9)18(16,17)14(2)11-5-3-10(12)4-6-11/h3-8H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide?
N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide has a molecular weight of 285.76 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N,2-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 86079936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).