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

C11H11F2N3O2S2 — CID 63000019

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccccc2SC(F)F)[nH]1
InChIInChI=1S/C11H11F2N3O2S2/c1-7-14-6-10(15-7)20(17,18)16-8-4-2-3-5-9(8)19-11(12)13/h2-6,11,16H,1H3,(H,14,15)
InChIKeyQMWPHUDVKCXAAC-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.83
Rot. Bonds5

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

N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 63000019) has the molecular formula C11H11F2N3O2S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID63000019
Molecular FormulaC11H11F2N3O2S2
Molecular Weight319.36 g/mol
Exact Mass319.03
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccccc2SC(F)F)[nH]1
InChIInChI=1S/C11H11F2N3O2S2/c1-7-14-6-10(15-7)20(17,18)16-8-4-2-3-5-9(8)19-11(12)13/h2-6,11,16H,1H3,(H,14,15)
InChIKeyQMWPHUDVKCXAAC-UHFFFAOYSA-N
XLogP2.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[(1H-imidazol-2-yl)methylidene]amino}benzene-1-sulfonamide
CID 135411191
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylaniline
CID 44343251
1-(4-fluorophenyl)-4-(1H-imidazol-4-ylsulfonyl)piperazine
CID 16195463
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 20958612
N-ethyl-N-phenyl-1H-imidazole-4-sulfonamide
CID 3237381
N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-sulfonamide
CID 3240350
N-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-sulfonamide
CID 3245100
N-[3-(1H-imidazol-5-ylsulfonyl)phenyl]ethanesulfonamide
CID 11267031
N-[3-(1H-imidazol-5-ylsulfanyl)phenyl]ethanesulfonamide
CID 11369599
1,2-Dimethyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 16029211
4-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzothiazine
CID 71921595
N-(2,5-difluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 71981424

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide (CID 63000019) is N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccccc2SC(F)F)[nH]1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is QMWPHUDVKCXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S2/c1-7-14-6-10(15-7)20(17,18)16-8-4-2-3-5-9(8)19-11(12)13/h2-6,11,16H,1H3,(H,14,15).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 319.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 63000019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).