4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide

C15H16FNO3S — CID 107327721

IUPAC4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cc(F)cc2C)cc1O
InChIInChI=1S/C15H16FNO3S/c1-9-4-5-13(8-14(9)18)17-21(19,20)15-10(2)6-12(16)7-11(15)3/h4-8,17-18H,1-3H3
InChIKeyFJHCGIZYFFDFQC-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.26
Rot. Bonds3

About 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide

4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107327721) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107327721
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cc(F)cc2C)cc1O
InChIInChI=1S/C15H16FNO3S/c1-9-4-5-13(8-14(9)18)17-21(19,20)15-10(2)6-12(16)7-11(15)3/h4-8,17-18H,1-3H3
InChIKeyFJHCGIZYFFDFQC-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

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Related Compounds

4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 146121517
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326514
4-fluoro-N-[3-(hydroxymethyl)phenyl]-2,6-dimethylbenzenesulfonamide
CID 107326857
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
4-fluoro-N-(3-hydroxy-2-pyridinyl)-2,6-dimethylbenzenesulfonamide
CID 107327732
5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699455
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide (CID 107327721) is 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)cc(F)cc2C)cc1O.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is FJHCGIZYFFDFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-9-4-5-13(8-14(9)18)17-21(19,20)15-10(2)6-12(16)7-11(15)3/h4-8,17-18H,1-3H3.
What are the key properties of 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide 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 4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).