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

C20H17F2NO2S — CID 10547351

IUPAC4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H17F2NO2S/c1-12-3-4-15(9-13(12)2)18-11-20(22)19(21)10-17(18)14-5-7-16(8-6-14)26(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyQGGGJODXPMZGCO-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.56
Rot. Bonds3

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

4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 10547351) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID10547351
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC Name4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C20H17F2NO2S/c1-12-3-4-15(9-13(12)2)18-11-20(22)19(21)10-17(18)14-5-7-16(8-6-14)26(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyQGGGJODXPMZGCO-UHFFFAOYSA-N
XLogP4.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 10547351) is 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide is Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is QGGGJODXPMZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c1-12-3-4-15(9-13(12)2)18-11-20(22)19(21)10-17(18)14-5-7-16(8-6-14)26(23,24)25/h3-11H,1-2H3,(H2,23,24,25).
What are the key properties of 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 373.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10547351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).