5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide

C15H16FNO3S — CID 106831907

IUPAC5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2C)c(C)cc1O
InChIInChI=1S/C15H16FNO3S/c1-9-4-5-12(16)8-15(9)21(19,20)17-13-6-11(3)14(18)7-10(13)2/h4-8,17-18H,1-3H3
InChIKeyKUYMAPPLPDIFOU-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.26
Rot. Bonds3

About 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide

5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide (PubChem CID 106831907) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
PubChem CID106831907
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2C)c(C)cc1O
InChIInChI=1S/C15H16FNO3S/c1-9-4-5-12(16)8-15(9)21(19,20)17-13-6-11(3)14(18)7-10(13)2/h4-8,17-18H,1-3H3
InChIKeyKUYMAPPLPDIFOU-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 106831940
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
N-(4-butyl-2-methylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 3800268

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide (CID 106831907) is 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(F)ccc2C)c(C)cc1O.
What is the InChIKey of 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is KUYMAPPLPDIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-9-4-5-12(16)8-15(9)21(19,20)17-13-6-11(3)14(18)7-10(13)2/h4-8,17-18H,1-3H3.
What are the key properties of 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide?
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106831907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).