N-(fluoromethyl)benzimidazole-1-sulfonamide

C8H8FN3O2S — CID 152515511

IUPACN-(fluoromethyl)benzimidazole-1-sulfonamide
SMILESO=S(=O)(NCF)n1cnc2ccccc21
InChIInChI=1S/C8H8FN3O2S/c9-5-11-15(13,14)12-6-10-7-3-1-2-4-8(7)12/h1-4,6,11H,5H2
InChIKeyYGKLKNKQNCCZSX-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.65
Rot. Bonds3

About N-(fluoromethyl)benzimidazole-1-sulfonamide

N-(fluoromethyl)benzimidazole-1-sulfonamide (PubChem CID 152515511) has the molecular formula C8H8FN3O2S and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(fluoromethyl)benzimidazole-1-sulfonamide.

Molecular Properties

Compound NameN-(fluoromethyl)benzimidazole-1-sulfonamide
PubChem CID152515511
Molecular FormulaC8H8FN3O2S
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC NameN-(fluoromethyl)benzimidazole-1-sulfonamide
SMILESO=S(=O)(NCF)n1cnc2ccccc21
InChIInChI=1S/C8H8FN3O2S/c9-5-11-15(13,14)12-6-10-7-3-1-2-4-8(7)12/h1-4,6,11H,5H2
InChIKeyYGKLKNKQNCCZSX-UHFFFAOYSA-N
XLogP0.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzimidazole
CID 22200841
1-[(2-chlorophenyl)methylsulfonyl]benzimidazole
CID 3918041
1-(4-chlorophenyl)sulfonylbenzimidazole
CID 746713
1-(4-propylphenyl)sulfonylbenzimidazole
CID 22200833
1-(2,3,5,6-tetramethylphenyl)sulfonylbenzimidazole
CID 22200842
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
CID 4107358
N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide
CID 70243846
1-(2,4-dibromophenyl)sulfonylbenzimidazole
CID 2849375
N-[3-(benzimidazol-1-yl)propyl]-1-bromomethanesulfonamide
CID 83093191
4-(benzimidazol-1-ylsulfonyl)-2,1,3-benzothiadiazole
CID 6469171
N-(benzimidazol-1-yl)benzenesulfonamide
CID 118414889
1-(4,5-dimethyl-2-propoxyphenyl)sulfonylbenzimidazole
CID 15943816

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)benzimidazole-1-sulfonamide?
The IUPAC name of N-(fluoromethyl)benzimidazole-1-sulfonamide (CID 152515511) is N-(fluoromethyl)benzimidazole-1-sulfonamide.
What is the SMILES notation for N-(fluoromethyl)benzimidazole-1-sulfonamide?
The canonical SMILES for N-(fluoromethyl)benzimidazole-1-sulfonamide is O=S(=O)(NCF)n1cnc2ccccc21.
What is the InChIKey of N-(fluoromethyl)benzimidazole-1-sulfonamide?
The InChIKey is YGKLKNKQNCCZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O2S/c9-5-11-15(13,14)12-6-10-7-3-1-2-4-8(7)12/h1-4,6,11H,5H2.
What are the key properties of N-(fluoromethyl)benzimidazole-1-sulfonamide?
N-(fluoromethyl)benzimidazole-1-sulfonamide has a molecular weight of 229.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)benzimidazole-1-sulfonamide is sourced from PubChem (CID 152515511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).