4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide

C19H12F2N2O2S — CID 23451207

IUPAC4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H12F2N2O2S/c20-18-9-16(13-3-1-12(11-22)2-4-13)17(10-19(18)21)14-5-7-15(8-6-14)26(23,24)25/h1-10H,(H2,23,24,25)
InChIKeyXEXJSGRLFYJUNO-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.82
Rot. Bonds3

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

4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 23451207) has the molecular formula C19H12F2N2O2S and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID23451207
Molecular FormulaC19H12F2N2O2S
Molecular Weight370.38 g/mol
Exact Mass370.06
IUPAC Name4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H12F2N2O2S/c20-18-9-16(13-3-1-12(11-22)2-4-13)17(10-19(18)21)14-5-7-15(8-6-14)26(23,24)25/h1-10H,(H2,23,24,25)
InChIKeyXEXJSGRLFYJUNO-UHFFFAOYSA-N
XLogP3.82
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 23451207) is 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide is N#Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is XEXJSGRLFYJUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O2S/c20-18-9-16(13-3-1-12(11-22)2-4-13)17(10-19(18)21)14-5-7-15(8-6-14)26(23,24)25/h1-10H,(H2,23,24,25).
What are the key properties of 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 370.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 23451207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).