2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide

C11H10F3N3O2S2 — CID 62999318

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)[nH]1
InChIInChI=1S/C11H10F3N3O2S2/c1-7-15-6-10(16-7)21(18,19)17-8-4-2-3-5-9(8)20-11(12,13)14/h2-6,17H,1H3,(H,15,16)
InChIKeyQZQRODSKZBDCTF-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.13
Rot. Bonds4

About 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide

2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 62999318) has the molecular formula C11H10F3N3O2S2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide
PubChem CID62999318
Molecular FormulaC11H10F3N3O2S2
Molecular Weight337.35 g/mol
Exact Mass337.02
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)[nH]1
InChIInChI=1S/C11H10F3N3O2S2/c1-7-15-6-10(16-7)21(18,19)17-8-4-2-3-5-9(8)20-11(12,13)14/h2-6,17H,1H3,(H,15,16)
InChIKeyQZQRODSKZBDCTF-UHFFFAOYSA-N
XLogP3.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide (CID 62999318) is 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is QZQRODSKZBDCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S2/c1-7-15-6-10(16-7)21(18,19)17-8-4-2-3-5-9(8)20-11(12,13)14/h2-6,17H,1H3,(H,15,16).
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 337.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62999318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).