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

C14H14FNO3S — CID 107326957

IUPAC4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H14FNO3S/c1-9-6-11(15)7-10(2)14(9)20(18,19)16-12-4-3-5-13(17)8-12/h3-8,16-17H,1-2H3
InChIKeyPNCQNWFHLOSTKG-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.95
Rot. Bonds3

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

4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107326957) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107326957
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C14H14FNO3S/c1-9-6-11(15)7-10(2)14(9)20(18,19)16-12-4-3-5-13(17)8-12/h3-8,16-17H,1-2H3
InChIKeyPNCQNWFHLOSTKG-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-(hydroxymethyl)phenyl]-2,6-dimethylbenzenesulfonamide
CID 107326857
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-[3-[(3-hydroxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]acetamide
CID 2996267
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 146121517
1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 119056271
4-fluoro-N-(3-hydroxy-2-pyridinyl)-2,6-dimethylbenzenesulfonamide
CID 107327732
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide (CID 107326957) is 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is PNCQNWFHLOSTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-9-6-11(15)7-10(2)14(9)20(18,19)16-12-4-3-5-13(17)8-12/h3-8,16-17H,1-2H3.
What are the key properties of 4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 295.33 g/mol, XLogP of 2.95, 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-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).