N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide

C9H12FNO3S — CID 64781842

IUPACN-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO3S/c1-6(2)15(13,14)11-7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3
InChIKeyMKHRWSLYBOTXHJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.68
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide

N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide (PubChem CID 64781842) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
PubChem CID64781842
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO3S/c1-6(2)15(13,14)11-7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3
InChIKeyMKHRWSLYBOTXHJ-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.68
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'}

Analyze N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-fluoro-2-hydroxyphenyl)propane-2-sulfonamide
CID 64794598
1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782624
N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
CID 62317570
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide (CID 64781842) is N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide?
The InChIKey is MKHRWSLYBOTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-6(2)15(13,14)11-7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide?
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide has a molecular weight of 233.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 64781842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).