3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide

C18H11ClF3NO3S — CID 146546018

IUPAC3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C18H11ClF3NO3S/c19-13-6-11(20)7-17(18(13)24)27(25,26)23-16-8-12(14(21)9-15(16)22)10-4-2-1-3-5-10/h1-9,23-24H
InChIKeyUZTVCWXNMOTOCL-UHFFFAOYSA-N
MW413.80 g/mol
LogP4.93
Rot. Bonds4

About 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide (PubChem CID 146546018) has the molecular formula C18H11ClF3NO3S and a molecular weight of 413.80 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide
PubChem CID146546018
Molecular FormulaC18H11ClF3NO3S
Molecular Weight413.80 g/mol
Exact Mass413.01
IUPAC Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C18H11ClF3NO3S/c19-13-6-11(20)7-17(18(13)24)27(25,26)23-16-8-12(14(21)9-15(16)22)10-4-2-1-3-5-10/h1-9,23-24H
InChIKeyUZTVCWXNMOTOCL-UHFFFAOYSA-N
XLogP4.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.80
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide (CID 146546018) is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide?
The InChIKey is UZTVCWXNMOTOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NO3S/c19-13-6-11(20)7-17(18(13)24)27(25,26)23-16-8-12(14(21)9-15(16)22)10-4-2-1-3-5-10/h1-9,23-24H.
What are the key properties of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide?
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide has a molecular weight of 413.80 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146546018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).