N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

C20H17F2NO4S — CID 23217148

IUPACN-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H17F2NO4S/c1-26-19-9-8-13(10-20(19)27-2)15-11-16(21)17(22)12-18(15)23-28(24,25)14-6-4-3-5-7-14/h3-12,23H,1-2H3
InChIKeyXFQGDBAIIIXSNA-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.45
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 23217148) has the molecular formula C20H17F2NO4S and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID23217148
Molecular FormulaC20H17F2NO4S
Molecular Weight405.42 g/mol
Exact Mass405.08
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H17F2NO4S/c1-26-19-9-8-13(10-20(19)27-2)15-11-16(21)17(22)12-18(15)23-28(24,25)14-6-4-3-5-7-14/h3-12,23H,1-2H3
InChIKeyXFQGDBAIIIXSNA-UHFFFAOYSA-N
XLogP4.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 67653567
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-[6-(3,5-dimethoxy-4-methylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
CID 23217320
N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594851
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 23217148) is N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is COc1ccc(-c2cc(F)c(F)cc2NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is XFQGDBAIIIXSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S/c1-26-19-9-8-13(10-20(19)27-2)15-11-16(21)17(22)12-18(15)23-28(24,25)14-6-4-3-5-7-14/h3-12,23H,1-2H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 405.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 23217148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).