N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide

C13H11ClFNO3S — CID 43344384

IUPACN-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H11ClFNO3S/c1-8-2-4-10(15)7-13(8)20(18,19)16-11-6-9(14)3-5-12(11)17/h2-7,16-17H,1H3
InChIKeyUCXZNVYBZRPIDK-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.29
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide

N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 43344384) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID43344384
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H11ClFNO3S/c1-8-2-4-10(15)7-13(8)20(18,19)16-11-6-9(14)3-5-12(11)17/h2-7,16-17H,1H3
InChIKeyUCXZNVYBZRPIDK-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.29
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)-2,4-difluorobenzenesulfonamide
CID 43244390
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 43344384) is N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UCXZNVYBZRPIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-8-2-4-10(15)7-13(8)20(18,19)16-11-6-9(14)3-5-12(11)17/h2-7,16-17H,1H3.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 3.29, 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)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43344384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).