5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide

C12H14ClN3O4S — CID 43415198

IUPAC5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ncn(C)c2Cl)c(OC)c1
InChIInChI=1S/C12H14ClN3O4S/c1-16-7-14-12(11(16)13)21(17,18)15-9-5-4-8(19-2)6-10(9)20-3/h4-7,15H,1-3H3
InChIKeyMWNWDOGXAUQOIB-UHFFFAOYSA-N
MW331.78 g/mol
LogP1.89
Rot. Bonds5

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

5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 43415198) has the molecular formula C12H14ClN3O4S and a molecular weight of 331.78 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID43415198
Molecular FormulaC12H14ClN3O4S
Molecular Weight331.78 g/mol
Exact Mass331.04
IUPAC Name5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ncn(C)c2Cl)c(OC)c1
InChIInChI=1S/C12H14ClN3O4S/c1-16-7-14-12(11(16)13)21(17,18)15-9-5-4-8(19-2)6-10(9)20-3/h4-7,15H,1-3H3
InChIKeyMWNWDOGXAUQOIB-UHFFFAOYSA-N
XLogP1.89
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 55590040
5-chloro-N-(2-fluoro-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 43415195
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 61051415
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
5-chloro-1-methyl-N-(2-nitrophenyl)imidazole-4-sulfonamide
CID 61051631
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
methyl 4-[(2,4-dimethoxyphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 22515636
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide (CID 43415198) is 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2ncn(C)c2Cl)c(OC)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is MWNWDOGXAUQOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S/c1-16-7-14-12(11(16)13)21(17,18)15-9-5-4-8(19-2)6-10(9)20-3/h4-7,15H,1-3H3.
What are the key properties of 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 331.78 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dimethoxyphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 43415198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).