5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide

C12H12Cl2FN3O2S — CID 35303260

IUPAC5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C12H12Cl2FN3O2S/c1-17-7-16-12(11(17)14)21(19,20)18(2)6-8-9(13)4-3-5-10(8)15/h3-5,7H,6H2,1-2H3
InChIKeyCQRQWVUNIRVVAL-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.69
Rot. Bonds4

About 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide

5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 35303260) has the molecular formula C12H12Cl2FN3O2S and a molecular weight of 352.22 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID35303260
Molecular FormulaC12H12Cl2FN3O2S
Molecular Weight352.22 g/mol
Exact Mass351.00
IUPAC Name5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C12H12Cl2FN3O2S/c1-17-7-16-12(11(17)14)21(19,20)18(2)6-8-9(13)4-3-5-10(8)15/h3-5,7H,6H2,1-2H3
InChIKeyCQRQWVUNIRVVAL-UHFFFAOYSA-N
XLogP2.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 55731451
5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
5-chloro-N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]imidazole-4-sulfonamide
CID 35303507
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61127332
5-chloro-N,1-dimethyl-N-(2-pyrrolidin-1-ylethyl)imidazole-4-sulfonamide
CID 63207525
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-2-(4-methoxyphenoxy)-N-methylethanamine
CID 112811399
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 107650651
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
CID 18080162
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 112845360

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide (CID 35303260) is 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide is CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is CQRQWVUNIRVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FN3O2S/c1-17-7-16-12(11(17)14)21(19,20)18(2)6-8-9(13)4-3-5-10(8)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide?
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 352.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 35303260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).