N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide

C8H6F3N3O2S — CID 55213553

IUPACN-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)17(15,16)14-7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H2,12,13,14)
InChIKeySZAXRFLZFKVHKY-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.82
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 55213553) has the molecular formula C8H6F3N3O2S and a molecular weight of 265.22 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID55213553
Molecular FormulaC8H6F3N3O2S
Molecular Weight265.22 g/mol
Exact Mass265.01
IUPAC NameN-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C8H6F3N3O2S/c9-8(10,11)17(15,16)14-7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H2,12,13,14)
InChIKeySZAXRFLZFKVHKY-UHFFFAOYSA-N
XLogP1.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59847917
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N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
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CID 63564636
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
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N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 55213553) is N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1nc2ccccc2[nH]1)C(F)(F)F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SZAXRFLZFKVHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2S/c9-8(10,11)17(15,16)14-7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H2,12,13,14).
What are the key properties of N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 265.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 55213553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).