N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide

C12H14ClN3O2S — CID 46345208

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H14ClN3O2S/c1-16-8-12(14-9-16)19(17,18)15-7-6-10-2-4-11(13)5-3-10/h2-5,8-9,15H,6-7H2,1H3
InChIKeyZTTREPBWFUYQQY-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.59
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 46345208) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID46345208
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H14ClN3O2S/c1-16-8-12(14-9-16)19(17,18)15-7-6-10-2-4-11(13)5-3-10/h2-5,8-9,15H,6-7H2,1H3
InChIKeyZTTREPBWFUYQQY-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[(1-methylimidazol-4-yl)sulfonylamino]ethyl]phenyl] N-phenylcarbamate
CID 142253948
N-(6-aminohexyl)-1-methylimidazole-4-sulfonamide
CID 15100236
1-methyl-N-pentylimidazole-4-sulfonamide
CID 18961136
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 20958647
1-methyl-N-[3-(methylamino)propyl]imidazole-4-sulfonamide;hydrochloride
CID 18961157
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275
N-[2-(2-chloroethoxy)ethyl]-1-methylimidazole-4-sulfonamide
CID 65033847
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
N-(3-bromobutyl)-1-methylimidazole-4-sulfonamide
CID 114297718
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-(4-aminopentyl)-1-methylimidazole-4-sulfonamide
CID 106125952

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide (CID 46345208) is N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is ZTTREPBWFUYQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-16-8-12(14-9-16)19(17,18)15-7-6-10-2-4-11(13)5-3-10/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 46345208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).