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

C19H15F2NO2S — CID 10666170

IUPAC4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H15F2NO2S/c1-12-2-4-13(5-3-12)16-10-18(20)19(21)11-17(16)14-6-8-15(9-7-14)25(22,23)24/h2-11H,1H3,(H2,22,23,24)
InChIKeyIEPVUPAKSGZBAR-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.25
Rot. Bonds3

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

4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 10666170) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
PubChem CID10666170
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H15F2NO2S/c1-12-2-4-13(5-3-12)16-10-18(20)19(21)11-17(16)14-6-8-15(9-7-14)25(22,23)24/h2-11H,1H3,(H2,22,23,24)
InChIKeyIEPVUPAKSGZBAR-UHFFFAOYSA-N
XLogP4.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide (CID 10666170) is 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide is Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is IEPVUPAKSGZBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c1-12-2-4-13(5-3-12)16-10-18(20)19(21)11-17(16)14-6-8-15(9-7-14)25(22,23)24/h2-11H,1H3,(H2,22,23,24).
What are the key properties of 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide?
4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 359.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10666170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).