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

C8H4BrClF2N2O3S — CID 131477894

IUPAC2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(OC(F)F)ccc2[nH]c(Br)nc12
InChIInChI=1S/C8H4BrClF2N2O3S/c9-7-13-3-1-2-4(17-8(11)12)6(5(3)14-7)18(10,15)16/h1-2,8H,(H,13,14)
InChIKeyAUOUOWLTCRNTDV-UHFFFAOYSA-N
MW361.55 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride

2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride (PubChem CID 131477894) has the molecular formula C8H4BrClF2N2O3S and a molecular weight of 361.55 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride
PubChem CID131477894
Molecular FormulaC8H4BrClF2N2O3S
Molecular Weight361.55 g/mol
Exact Mass359.88
IUPAC Name2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(OC(F)F)ccc2[nH]c(Br)nc12
InChIInChI=1S/C8H4BrClF2N2O3S/c9-7-13-3-1-2-4(17-8(11)12)6(5(3)14-7)18(10,15)16/h1-2,8H,(H,13,14)
InChIKeyAUOUOWLTCRNTDV-UHFFFAOYSA-N
XLogP2.85
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
CID 131474624
6-(difluoromethoxy)-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969823
3-(chloromethyl)-2-cyano-6-(difluoromethoxy)benzenesulfonyl chloride
CID 131383512
2,4-dibromo-1H-benzimidazole-5-carboxylic acid
CID 131190484
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855
4-(difluoromethoxy)-1H-benzimidazole-5-sulfonyl chloride
CID 131502091
2-bromo-6-chloro-4-fluoro-1H-benzimidazole
CID 130895995
ethyl 2-chlorosulfonyl-3-(difluoromethoxy)benzoate
CID 18434803
6-bromo-5-(difluoromethoxy)-1H-indole
CID 134449042
5-(difluoromethoxy)-1H-quinoxalin-2-one
CID 133058729
2-bromo-6-(difluoromethoxy)-3-methylbenzaldehyde
CID 131351090

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride?
The IUPAC name of 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride (CID 131477894) is 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride?
The canonical SMILES for 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride is O=S(=O)(Cl)c1c(OC(F)F)ccc2[nH]c(Br)nc12.
What is the InChIKey of 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride?
The InChIKey is AUOUOWLTCRNTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2O3S/c9-7-13-3-1-2-4(17-8(11)12)6(5(3)14-7)18(10,15)16/h1-2,8H,(H,13,14).
What are the key properties of 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride?
2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride has a molecular weight of 361.55 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethoxy)-1H-benzimidazole-4-sulfonyl chloride is sourced from PubChem (CID 131477894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).