5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide

C18H11ClF3NO2S — CID 146545714

IUPAC5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)ccc1F
InChIInChI=1S/C18H11ClF3NO2S/c19-12-6-7-14(20)18(8-12)26(24,25)23-17-9-13(15(21)10-16(17)22)11-4-2-1-3-5-11/h1-10,23H
InChIKeyISIVNRWSUFOIOU-UHFFFAOYSA-N
MW397.81 g/mol
LogP5.23
Rot. Bonds4

About 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide

5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 146545714) has the molecular formula C18H11ClF3NO2S and a molecular weight of 397.81 g/mol. Its IUPAC name is 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide
PubChem CID146545714
Molecular FormulaC18H11ClF3NO2S
Molecular Weight397.81 g/mol
Exact Mass397.02
IUPAC Name5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)ccc1F
InChIInChI=1S/C18H11ClF3NO2S/c19-12-6-7-14(20)18(8-12)26(24,25)23-17-9-13(15(21)10-16(17)22)11-4-2-1-3-5-11/h1-10,23H
InChIKeyISIVNRWSUFOIOU-UHFFFAOYSA-N
XLogP5.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.81
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide (CID 146545714) is 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is ISIVNRWSUFOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NO2S/c19-12-6-7-14(20)18(8-12)26(24,25)23-17-9-13(15(21)10-16(17)22)11-4-2-1-3-5-11/h1-10,23H.
What are the key properties of 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide?
5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 397.81 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 146545714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).