4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride

C8H4ClF3N2O3S — CID 131392639

IUPAC4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2[nH]cnc2c1OC(F)(F)F
InChIInChI=1S/C8H4ClF3N2O3S/c9-18(15,16)5-2-1-4-6(14-3-13-4)7(5)17-8(10,11)12/h1-3H,(H,13,14)
InChIKeyJCVYFTJQZSJHQS-UHFFFAOYSA-N
MW300.65 g/mol
LogP2.39
Rot. Bonds2

About 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride

4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride (PubChem CID 131392639) has the molecular formula C8H4ClF3N2O3S and a molecular weight of 300.65 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
PubChem CID131392639
Molecular FormulaC8H4ClF3N2O3S
Molecular Weight300.65 g/mol
Exact Mass299.96
IUPAC Name4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2[nH]cnc2c1OC(F)(F)F
InChIInChI=1S/C8H4ClF3N2O3S/c9-18(15,16)5-2-1-4-6(14-3-13-4)7(5)17-8(10,11)12/h1-3H,(H,13,14)
InChIKeyJCVYFTJQZSJHQS-UHFFFAOYSA-N
XLogP2.39
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
The IUPAC name of 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride (CID 131392639) is 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
The canonical SMILES for 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2[nH]cnc2c1OC(F)(F)F.
What is the InChIKey of 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
The InChIKey is JCVYFTJQZSJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2O3S/c9-18(15,16)5-2-1-4-6(14-3-13-4)7(5)17-8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride has a molecular weight of 300.65 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 131392639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).