5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide

C11H15ClF3N3O2S — CID 60746019

IUPAC5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)c1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-18-6-16-10(9(18)12)21(19,20)17-8-4-2-3-7(5-8)11(13,14)15/h6-8,17H,2-5H2,1H3
InChIKeyOEOGEDDJTZKVHT-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.47
Rot. Bonds3

About 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide (PubChem CID 60746019) has the molecular formula C11H15ClF3N3O2S and a molecular weight of 345.77 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
PubChem CID60746019
Molecular FormulaC11H15ClF3N3O2S
Molecular Weight345.77 g/mol
Exact Mass345.05
IUPAC Name5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)c1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-18-6-16-10(9(18)12)21(19,20)17-8-4-2-3-7(5-8)11(13,14)15/h6-8,17H,2-5H2,1H3
InChIKeyOEOGEDDJTZKVHT-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide (CID 60746019) is 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide?
The InChIKey is OEOGEDDJTZKVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2S/c1-18-6-16-10(9(18)12)21(19,20)17-8-4-2-3-7(5-8)11(13,14)15/h6-8,17H,2-5H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide has a molecular weight of 345.77 g/mol, XLogP of 2.47, 3 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-[3-(trifluoromethyl)cyclohexyl]imidazole-4-sulfonamide is sourced from PubChem (CID 60746019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).