4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide

C14H12FNO4S — CID 64781477

IUPAC4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H12FNO4S/c1-9(17)10-2-5-12(6-3-10)21(19,20)16-11-4-7-14(18)13(15)8-11/h2-8,16,18H,1H3
InChIKeyOTLZTMRWDOWBLY-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.53
Rot. Bonds4

About 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide

4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 64781477) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID64781477
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1
InChIInChI=1S/C14H12FNO4S/c1-9(17)10-2-5-12(6-3-10)21(19,20)16-11-4-7-14(18)13(15)8-11/h2-8,16,18H,1H3
InChIKeyOTLZTMRWDOWBLY-UHFFFAOYSA-N
XLogP2.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
1-(4-acetylphenyl)-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64782791
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
CID 65436899
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943742

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide (CID 64781477) is 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1.
What is the InChIKey of 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is OTLZTMRWDOWBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-9(17)10-2-5-12(6-3-10)21(19,20)16-11-4-7-14(18)13(15)8-11/h2-8,16,18H,1H3.
What are the key properties of 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 309.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 64781477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).