2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide

C18H13F3N2O2S — CID 22747294

IUPAC2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1F
InChIInChI=1S/C18H13F3N2O2S/c1-10-4-5-11(7-14(10)19)12-3-2-6-23-18(12)13-8-16(21)17(9-15(13)20)26(22,24)25/h2-9H,1H3,(H2,22,24,25)
InChIKeyWXOVIISPSOXAHJ-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.79
Rot. Bonds3

About 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide

2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 22747294) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide
PubChem CID22747294
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1F
InChIInChI=1S/C18H13F3N2O2S/c1-10-4-5-11(7-14(10)19)12-3-2-6-23-18(12)13-8-16(21)17(9-15(13)20)26(22,24)25/h2-9H,1H3,(H2,22,24,25)
InChIKeyWXOVIISPSOXAHJ-UHFFFAOYSA-N
XLogP3.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide (CID 22747294) is 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1F.
What is the InChIKey of 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is WXOVIISPSOXAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-10-4-5-11(7-14(10)19)12-3-2-6-23-18(12)13-8-16(21)17(9-15(13)20)26(22,24)25/h2-9H,1H3,(H2,22,24,25).
What are the key properties of 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 378.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 22747294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).