N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide

C12H8ClF2NO3S — CID 43244390

IUPACN-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(F)cc1F
InChIInChI=1S/C12H8ClF2NO3S/c13-7-1-3-11(17)10(5-7)16-20(18,19)12-4-2-8(14)6-9(12)15/h1-6,16-17H
InChIKeyXQZDEQUBBIYCGB-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.12
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide

N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 43244390) has the molecular formula C12H8ClF2NO3S and a molecular weight of 319.72 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID43244390
Molecular FormulaC12H8ClF2NO3S
Molecular Weight319.72 g/mol
Exact Mass318.99
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(F)cc1F
InChIInChI=1S/C12H8ClF2NO3S/c13-7-1-3-11(17)10(5-7)16-20(18,19)12-4-2-8(14)6-9(12)15/h1-6,16-17H
InChIKeyXQZDEQUBBIYCGB-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide
CID 57378877
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 71975700

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide (CID 43244390) is N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is XQZDEQUBBIYCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO3S/c13-7-1-3-11(17)10(5-7)16-20(18,19)12-4-2-8(14)6-9(12)15/h1-6,16-17H.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide?
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 319.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43244390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).