4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide

C15H16ClFN4O2S — CID 22737009

IUPAC4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCCc1ccc(C(F)c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H16ClFN4O2S/c1-4-10-5-7-11(8-6-10)13(17)14-15(16)19-12(9-18)21(14)24(22,23)20(2)3/h5-8,13H,4H2,1-3H3
InChIKeyHWALQYYIHOWRSA-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.68
Rot. Bonds5

About 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide

4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 22737009) has the molecular formula C15H16ClFN4O2S and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide
PubChem CID22737009
Molecular FormulaC15H16ClFN4O2S
Molecular Weight370.84 g/mol
Exact Mass370.07
IUPAC Name4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCCc1ccc(C(F)c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H16ClFN4O2S/c1-4-10-5-7-11(8-6-10)13(17)14-15(16)19-12(9-18)21(14)24(22,23)20(2)3/h5-8,13H,4H2,1-3H3
InChIKeyHWALQYYIHOWRSA-UHFFFAOYSA-N
XLogP2.68
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyazofamid
CID 9862076
[4-Chloro-5-[2-(2-fluorophenyl)ethyl]-1-methylimidazol-2-yl]methanamine
CID 84203589
[4-Chloro-5-[2-(4-fluorophenyl)ethyl]-1-methylimidazol-2-yl]methanamine
CID 84203590
[4-Chloro-5-[2-(3-fluorophenyl)ethyl]-1-methylimidazol-2-yl]methanamine
CID 84203591
[5-Chloro-4-[2-(2-fluorophenyl)ethyl]-1-methylimidazol-2-yl]methanamine
CID 84203592
[5-Chloro-4-[2-(4-fluorophenyl)ethyl]-1-methylimidazol-2-yl]methanamine
CID 84203593
[5-Chloro-4-[2-(3-fluorophenyl)ethyl]-1-methylimidazol-2-yl]methanamine
CID 84203594
5-chloro-2-cyano-N,N-dimethyl-4-phenylimidazole-1-sulfonamide
CID 14455750
5-chloro-2-cyano-N,N-dimethyl-4-(4-methylphenyl)imidazole-1-sulfonamide
CID 14455751
5-chloro-4-(4-chlorophenyl)-2-cyano-N,N-dimethylimidazole-1-sulfonamide
CID 14455755
5-chloro-2-cyano-4-(4-ethylphenyl)-N,N-dimethylimidazole-1-sulfonamide
CID 14455784
4-Chloro-2-cyano-N,N-dimethyl-5-phenyl-1H-imidazole-1-sulfonamide
CID 14455980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide (CID 22737009) is 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide is CCc1ccc(C(F)c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is HWALQYYIHOWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2S/c1-4-10-5-7-11(8-6-10)13(17)14-15(16)19-12(9-18)21(14)24(22,23)20(2)3/h5-8,13H,4H2,1-3H3.
What are the key properties of 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide?
4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 370.84 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyano-5-[(4-ethylphenyl)-fluoromethyl]-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 22737009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).