N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide

C11H9ClF3N3O2S — CID 20958584

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-5-10(16-6-18)21(19,20)17-7-2-3-9(12)8(4-7)11(13,14)15/h2-6,17H,1H3
InChIKeyZQIVUCFNGJVLKH-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.89
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 20958584) has the molecular formula C11H9ClF3N3O2S and a molecular weight of 339.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide
PubChem CID20958584
Molecular FormulaC11H9ClF3N3O2S
Molecular Weight339.73 g/mol
Exact Mass339.01
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C11H9ClF3N3O2S/c1-18-5-10(16-6-18)21(19,20)17-7-2-3-9(12)8(4-7)11(13,14)15/h2-6,17H,1H3
InChIKeyZQIVUCFNGJVLKH-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US9656955, Example 540
CID 86295651
N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazole-4-sulfonamide
CID 3242297
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinecarboxamide
CID 16027931
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 2810685
US9656955, Example 255
CID 90404258
US9656955, Example 258
CID 90405999
US9656955, Example 217
CID 90406088
US9656955, Example 172
CID 90406371
US9656955, Example 743
CID 90406562
US9656955, Example 675
CID 90406621
1-methyl-N-[4-(trifluoromethyl)phenyl]-4-imidazolesulfonamide
CID 3239000
N-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-sulfonamide
CID 3245100

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide (CID 20958584) is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is ZQIVUCFNGJVLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O2S/c1-18-5-10(16-6-18)21(19,20)17-7-2-3-9(12)8(4-7)11(13,14)15/h2-6,17H,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 339.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).