N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide

C13H8ClFN2O3S — CID 82722836

IUPACN-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)c1
InChIInChI=1S/C13H8ClFN2O3S/c14-10-5-12(13(18)6-11(10)15)17-21(19,20)9-3-1-2-8(4-9)7-16/h1-6,17-18H
InChIKeyMRJCESFHXPBSDI-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.86
Rot. Bonds3

About N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide

N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide (PubChem CID 82722836) has the molecular formula C13H8ClFN2O3S and a molecular weight of 326.74 g/mol. Its IUPAC name is N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
PubChem CID82722836
Molecular FormulaC13H8ClFN2O3S
Molecular Weight326.74 g/mol
Exact Mass325.99
IUPAC NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)c1
InChIInChI=1S/C13H8ClFN2O3S/c14-10-5-12(13(18)6-11(10)15)17-21(19,20)9-3-1-2-8(4-9)7-16/h1-6,17-18H
InChIKeyMRJCESFHXPBSDI-UHFFFAOYSA-N
XLogP2.86
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 82719616
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 64794952
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide (CID 82722836) is N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)c1.
What is the InChIKey of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The InChIKey is MRJCESFHXPBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3S/c14-10-5-12(13(18)6-11(10)15)17-21(19,20)9-3-1-2-8(4-9)7-16/h1-6,17-18H.
What are the key properties of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide?
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide has a molecular weight of 326.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 82722836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).