2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide

C20H17F2NO3S — CID 67654311

IUPAC2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccccc2S(N)(=O)=O)cc1C
InChIInChI=1S/C20H17F2NO3S/c1-12-9-13(7-8-19(12)26-2)15-10-17(21)18(22)11-16(15)14-5-3-4-6-20(14)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyJFUZMIMGPSBGLQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.26
Rot. Bonds4

About 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide

2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 67654311) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
PubChem CID67654311
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC Name2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(F)c(F)cc2-c2ccccc2S(N)(=O)=O)cc1C
InChIInChI=1S/C20H17F2NO3S/c1-12-9-13(7-8-19(12)26-2)15-10-17(21)18(22)11-16(15)14-5-3-4-6-20(14)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyJFUZMIMGPSBGLQ-UHFFFAOYSA-N
XLogP4.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 67654504
1-methoxy-2-methyl-4-(2-methylsulfonylphenyl)benzene
CID 58902832
2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
CID 23217294
2-[6-(3,4-dimethylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
CID 67654177
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide
CID 23217422
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23217411
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594963
2-[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645662
2-[6-(4-chloro-3-methylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
CID 67654916

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide (CID 67654311) is 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2cc(F)c(F)cc2-c2ccccc2S(N)(=O)=O)cc1C.
What is the InChIKey of 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is JFUZMIMGPSBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-12-9-13(7-8-19(12)26-2)15-10-17(21)18(22)11-16(15)14-5-3-4-6-20(14)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25).
What are the key properties of 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide?
2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67654311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).