5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide

C12H10Cl2N4O2S — CID 14455755

IUPAC5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H10Cl2N4O2S/c1-17(2)21(19,20)18-10(7-15)16-11(12(18)14)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeySBYMHBPDHMDGJR-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide

5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 14455755) has the molecular formula C12H10Cl2N4O2S and a molecular weight of 345.21 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide
PubChem CID14455755
Molecular FormulaC12H10Cl2N4O2S
Molecular Weight345.21 g/mol
Exact Mass343.99
IUPAC Name5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1c(C#N)nc(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H10Cl2N4O2S/c1-17(2)21(19,20)18-10(7-15)16-11(12(18)14)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeySBYMHBPDHMDGJR-UHFFFAOYSA-N
XLogP2.38
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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6-Chloro-7-(4-chlorophenyl)-1-ethyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
CID 44340004
6-(4-Chlorophenyl)-2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine
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5-Chloro-4-(4-chlorophenyl)-1-difluoromethyl-2-methyl-1H-imidazole
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4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide
CID 22737009
5-Chloro-4-(4-chlorophenyl)-1-(difluoromethoxy)-2-methylimidazole
CID 70139998
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CID 141828674
5-Chloro-4-(4-chlorophenyl)-1-(propan-2-yloxymethyl)-2-(trifluoromethyl)imidazole
CID 141828677
5-Chloro-4-(4-chlorophenyl)-1-(ethoxymethyl)-2-(trifluoromethyl)imidazole
CID 141828688
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide (CID 14455755) is 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1c(C#N)nc(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is SBYMHBPDHMDGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2S/c1-17(2)21(19,20)18-10(7-15)16-11(12(18)14)8-3-5-9(13)6-4-8/h3-6H,1-2H3.
What are the key properties of 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide?
5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 345.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 14455755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).