N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide

C12H11ClN4O2S — CID 103791860

IUPACN-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C12H11ClN4O2S/c1-2-17-7-12(15-8-17)20(18,19)16-11-4-3-9(6-14)5-10(11)13/h3-5,7-8,16H,2H2,1H3
InChIKeyLOVWRXKHVYPWNZ-UHFFFAOYSA-N
MW310.77 g/mol
LogP2.23
Rot. Bonds4

About N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide

N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 103791860) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
PubChem CID103791860
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC NameN-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C12H11ClN4O2S/c1-2-17-7-12(15-8-17)20(18,19)16-11-4-3-9(6-14)5-10(11)13/h3-5,7-8,16H,2H2,1H3
InChIKeyLOVWRXKHVYPWNZ-UHFFFAOYSA-N
XLogP2.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-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

3-chloro-4-[(1-ethylimidazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 107808694
N-(3,4-dicyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 107796632
N-[(3-cyanophenyl)methyl]-1-ethylimidazole-4-sulfonamide
CID 79372852
N-(2-chloro-3-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 103721869
N-(3-chloro-4-hydroxyphenyl)-1-ethylimidazole-4-sulfonamide
CID 79373206
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 103580545
N-(4-cyano-1-methylpyrazol-5-yl)-1-ethylimidazole-4-sulfonamide
CID 79504054
1-ethyl-N-(2-hydroxy-4-nitrophenyl)imidazole-4-sulfonamide
CID 107745907
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
N-(2-bromo-5-fluorophenyl)-1-ethylimidazole-4-sulfonamide
CID 103752880
1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
CID 107809713

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide (CID 103791860) is N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is LOVWRXKHVYPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c1-2-17-7-12(15-8-17)20(18,19)16-11-4-3-9(6-14)5-10(11)13/h3-5,7-8,16H,2H2,1H3.
What are the key properties of N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide?
N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 310.77 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 103791860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).