5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide

C11H8Cl2N4O2S — CID 61051415

IUPAC5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Cl)ccc2C#N)c1Cl
InChIInChI=1S/C11H8Cl2N4O2S/c1-17-6-15-11(10(17)13)20(18,19)16-9-4-8(12)3-2-7(9)5-14/h2-4,6,16H,1H3
InChIKeyBRSOPMOPIXGGBN-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.40
Rot. Bonds3

About 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 61051415) has the molecular formula C11H8Cl2N4O2S and a molecular weight of 331.18 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID61051415
Molecular FormulaC11H8Cl2N4O2S
Molecular Weight331.18 g/mol
Exact Mass329.97
IUPAC Name5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2cc(Cl)ccc2C#N)c1Cl
InChIInChI=1S/C11H8Cl2N4O2S/c1-17-6-15-11(10(17)13)20(18,19)16-9-4-8(12)3-2-7(9)5-14/h2-4,6,16H,1H3
InChIKeyBRSOPMOPIXGGBN-UHFFFAOYSA-N
XLogP2.40
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415175
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
CID 61051631
5-chloro-N-(2-fluoro-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415195
N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61053109
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
CID 43415198
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide (CID 61051415) is 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2cc(Cl)ccc2C#N)c1Cl.
What is the InChIKey of 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is BRSOPMOPIXGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2S/c1-17-6-15-11(10(17)13)20(18,19)16-9-4-8(12)3-2-7(9)5-14/h2-4,6,16H,1H3.
What are the key properties of 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 331.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 61051415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).