2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide

C13H8ClFN2O3S — CID 103988599

IUPAC2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)c(Cl)c1
InChIInChI=1S/C13H8ClFN2O3S/c14-10-5-8(7-16)1-4-13(10)21(19,20)17-11-6-9(15)2-3-12(11)18/h1-6,17-18H
InChIKeyCBFCNFPCOMEQEU-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide

2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide (PubChem CID 103988599) has the molecular formula C13H8ClFN2O3S and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
PubChem CID103988599
Molecular FormulaC13H8ClFN2O3S
Molecular Weight326.74 g/mol
Exact Mass325.99
IUPAC Name2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)c(Cl)c1
InChIInChI=1S/C13H8ClFN2O3S/c14-10-5-8(7-16)1-4-13(10)21(19,20)17-11-6-9(15)2-3-12(11)18/h1-6,17-18H
InChIKeyCBFCNFPCOMEQEU-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'}

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 64794952
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide (CID 103988599) is 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is CBFCNFPCOMEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3S/c14-10-5-8(7-16)1-4-13(10)21(19,20)17-11-6-9(15)2-3-12(11)18/h1-6,17-18H.
What are the key properties of 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide?
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide 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 2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 103988599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).