5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide

C14H12BrF2NO4S — CID 8504794

IUPAC5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H12BrF2NO4S/c1-21-12-7-6-9(15)8-13(12)23(19,20)18-10-4-2-3-5-11(10)22-14(16)17/h2-8,14,18H,1H3
InChIKeyCVLPGOVAXXKLKX-UHFFFAOYSA-N
MW408.22 g/mol
LogP3.86
Rot. Bonds6

About 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide

5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide (PubChem CID 8504794) has the molecular formula C14H12BrF2NO4S and a molecular weight of 408.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
PubChem CID8504794
Molecular FormulaC14H12BrF2NO4S
Molecular Weight408.22 g/mol
Exact Mass406.96
IUPAC Name5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C14H12BrF2NO4S/c1-21-12-7-6-9(15)8-13(12)23(19,20)18-10-4-2-3-5-11(10)22-14(16)17/h2-8,14,18H,1H3
InChIKeyCVLPGOVAXXKLKX-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823907
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide (CID 8504794) is 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide?
The InChIKey is CVLPGOVAXXKLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO4S/c1-21-12-7-6-9(15)8-13(12)23(19,20)18-10-4-2-3-5-11(10)22-14(16)17/h2-8,14,18H,1H3.
What are the key properties of 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide has a molecular weight of 408.22 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 8504794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).