4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide

C14H13F2NO3S — CID 107327223

IUPAC4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H13F2NO3S/c1-8-5-10(15)6-9(2)14(8)21(19,20)17-11-3-4-13(18)12(16)7-11/h3-7,17-18H,1-2H3
InChIKeyCOZNQWPTHNDFRG-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.09
Rot. Bonds3

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

4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107327223) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107327223
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H13F2NO3S/c1-8-5-10(15)6-9(2)14(8)21(19,20)17-11-3-4-13(18)12(16)7-11/h3-7,17-18H,1-2H3
InChIKeyCOZNQWPTHNDFRG-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.09
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

4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
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
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 146121517
N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326514
4-fluoro-N-[3-(hydroxymethyl)phenyl]-2,6-dimethylbenzenesulfonamide
CID 107326857
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
4-fluoro-N-(3-hydroxy-2-pyridinyl)-2,6-dimethylbenzenesulfonamide
CID 107327732
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide (CID 107327223) is 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is COZNQWPTHNDFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-8-5-10(15)6-9(2)14(8)21(19,20)17-11-3-4-13(18)12(16)7-11/h3-7,17-18H,1-2H3.
What are the key properties of 4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 3.09, 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-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).