N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide

C13H11ClFNO4S — CID 82721249

IUPACN-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)cc1
InChIInChI=1S/C13H11ClFNO4S/c1-20-8-2-4-9(5-3-8)21(18,19)16-12-6-10(14)11(15)7-13(12)17/h2-7,16-17H,1H3
InChIKeyUYGMBWONFQIHPL-UHFFFAOYSA-N
MW331.75 g/mol
LogP2.99
Rot. Bonds4

About N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide

N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 82721249) has the molecular formula C13H11ClFNO4S and a molecular weight of 331.75 g/mol. Its IUPAC name is N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID82721249
Molecular FormulaC13H11ClFNO4S
Molecular Weight331.75 g/mol
Exact Mass331.01
IUPAC NameN-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)cc1
InChIInChI=1S/C13H11ClFNO4S/c1-20-8-2-4-9(5-3-8)21(18,19)16-12-6-10(14)11(15)7-13(12)17/h2-7,16-17H,1H3
InChIKeyUYGMBWONFQIHPL-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 52.99
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-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 82719616
3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 102695953
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
N-[5-(4-chlorophenyl)sulfonyl-4-hydroxy-2,3-dimethylphenyl]-4-methoxybenzenesulfonamide
CID 1259998
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 82722720
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide (CID 82721249) is N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)c(F)cc2O)cc1.
What is the InChIKey of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is UYGMBWONFQIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO4S/c1-20-8-2-4-9(5-3-8)21(18,19)16-12-6-10(14)11(15)7-13(12)17/h2-7,16-17H,1H3.
What are the key properties of N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 331.75 g/mol, XLogP of 2.99, 4 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)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 82721249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).