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

C8H5ClF2N2O3S — CID 131502091

IUPAC4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2[nH]cnc2c1OC(F)F
InChIInChI=1S/C8H5ClF2N2O3S/c9-17(14,15)5-2-1-4-6(13-3-12-4)7(5)16-8(10)11/h1-3,8H,(H,12,13)
InChIKeyWQEOCRNJDRFFTO-UHFFFAOYSA-N
MW282.66 g/mol
LogP2.09
Rot. Bonds3

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

4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride (PubChem CID 131502091) has the molecular formula C8H5ClF2N2O3S and a molecular weight of 282.66 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
PubChem CID131502091
Molecular FormulaC8H5ClF2N2O3S
Molecular Weight282.66 g/mol
Exact Mass281.97
IUPAC Name4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2[nH]cnc2c1OC(F)F
InChIInChI=1S/C8H5ClF2N2O3S/c9-17(14,15)5-2-1-4-6(13-3-12-4)7(5)16-8(10)11/h1-3,8H,(H,12,13)
InChIKeyWQEOCRNJDRFFTO-UHFFFAOYSA-N
XLogP2.09
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
CID 131392639
5-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131117109
4-(difluoromethoxy)-5-iodo-1H-benzimidazole
CID 131094172
5-(difluoromethoxy)-1H-benzimidazole-4-thiol
CID 131169605
3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride
CID 131302281
5-nitro-1H-benzimidazole-4-sulfonyl chloride
CID 131479443
5-chloro-2-(difluoromethoxy)pyridine-3-sulfonyl chloride
CID 138675726
2-(difluoromethoxy)-4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 172968862
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
5-(cyanomethyl)-1H-benzimidazole-4-sulfonyl chloride
CID 131295997
6-(trifluoromethylsulfanyl)-1H-benzimidazole-4-sulfonyl chloride
CID 131293406
8-propan-2-yloxyquinoline-5-sulfonyl chloride
CID 43115660

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
The IUPAC name of 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride (CID 131502091) is 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2[nH]cnc2c1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
The InChIKey is WQEOCRNJDRFFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O3S/c9-17(14,15)5-2-1-4-6(13-3-12-4)7(5)16-8(10)11/h1-3,8H,(H,12,13).
What are the key properties of 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride?
4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride has a molecular weight of 282.66 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride is sourced from PubChem (CID 131502091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).