N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C12H15ClN4O2S — CID 62062819

IUPACN-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2N)nc1C
InChIInChI=1S/C12H15ClN4O2S/c1-3-17-7-12(15-8(17)2)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-7,16H,3,14H2,1-2H3
InChIKeyXRLMHEMEDROMNM-UHFFFAOYSA-N
MW314.80 g/mol
LogP2.25
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 62062819) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID62062819
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC NameN-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2N)nc1C
InChIInChI=1S/C12H15ClN4O2S/c1-3-17-7-12(15-8(17)2)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-7,16H,3,14H2,1-2H3
InChIKeyXRLMHEMEDROMNM-UHFFFAOYSA-N
XLogP2.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81273250
N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63258965
N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81288025
N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066439
N-(4-amino-2,6-dibromophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064056
N-[3-(aminomethyl)-4-fluorophenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62316776
N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63062952
N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 53008171
1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
CID 75396743
N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064796
N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122304210
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 62062819) is N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2N)nc1C.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is XRLMHEMEDROMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-3-17-7-12(15-8(17)2)20(18,19)16-11-5-4-9(13)6-10(11)14/h4-7,16H,3,14H2,1-2H3.
What are the key properties of N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 314.80 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62062819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).