5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide

C12H14ClN3O2S — CID 43415290

IUPAC5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C12H14ClN3O2S/c1-9-3-5-10(6-4-9)7-15-19(17,18)12-11(13)16(2)8-14-12/h3-6,8,15H,7H2,1-2H3
InChIKeyUMNLFVYAXUFDPC-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.86
Rot. Bonds4

About 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide (PubChem CID 43415290) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
PubChem CID43415290
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C12H14ClN3O2S/c1-9-3-5-10(6-4-9)7-15-19(17,18)12-11(13)16(2)8-14-12/h3-6,8,15H,7H2,1-2H3
InChIKeyUMNLFVYAXUFDPC-UHFFFAOYSA-N
XLogP1.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 60527069
5-chloro-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazole-4-sulfonamide
CID 62847232
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 103858731
5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55173032
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 43415294
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 134043672
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
5-chloro-1-methyl-N-(3-methylsulfanylpropyl)imidazole-4-sulfonamide
CID 63965435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide (CID 43415290) is 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is UMNLFVYAXUFDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-9-3-5-10(6-4-9)7-15-19(17,18)12-11(13)16(2)8-14-12/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 43415290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).