2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide

C20H18FNO2S — CID 23217294

IUPAC2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C20H18FNO2S/c1-13-11-15(12-14(2)20(13)21)16-7-3-4-8-17(16)18-9-5-6-10-19(18)25(22,23)24/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWEHVMCBIIUNOQK-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.42
Rot. Bonds3

About 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide

2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide (PubChem CID 23217294) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
PubChem CID23217294
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C20H18FNO2S/c1-13-11-15(12-14(2)20(13)21)16-7-3-4-8-17(16)18-9-5-6-10-19(18)25(22,23)24/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWEHVMCBIIUNOQK-UHFFFAOYSA-N
XLogP4.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)phenyl]benzenesulfonamide
CID 23217342
2-[2-(4-chloro-3,5-dimethoxyphenyl)phenyl]benzenesulfonamide
CID 23217422
2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23217411
2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
CID 67654311
2-[4,5-difluoro-2-(3,4,5-trichlorophenyl)phenyl]benzenesulfonamide
CID 67654263
2-[2-(2-chlorophenyl)phenyl]benzenesulfonamide
CID 175024723
5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
CID 54136106
2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 67654504
2-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
CID 23217423
2-[1-(3-chloro-4-fluorophenyl)-5-methylpyrrol-2-yl]benzenesulfonamide
CID 67604856
2-[6-(4-chloro-3-methylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
CID 67654916
2-methylbenzenesulfonamide
CID 6924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide (CID 23217294) is 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide is Cc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(C)c1F.
What is the InChIKey of 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
The InChIKey is WEHVMCBIIUNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-13-11-15(12-14(2)20(13)21)16-7-3-4-8-17(16)18-9-5-6-10-19(18)25(22,23)24/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23217294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).