2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

C12H12FNO3S2 — CID 90496558

IUPAC2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1ccccc1F
InChIInChI=1S/C12H12FNO3S2/c13-10-3-1-2-4-12(10)19(16,17)14-7-11(15)9-5-6-18-8-9/h1-6,8,11,14-15H,7H2
InChIKeyPUHJJQWWRXGZSX-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.90
Rot. Bonds5

About 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 90496558) has the molecular formula C12H12FNO3S2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID90496558
Molecular FormulaC12H12FNO3S2
Molecular Weight301.36 g/mol
Exact Mass301.02
IUPAC Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1ccccc1F
InChIInChI=1S/C12H12FNO3S2/c13-10-3-1-2-4-12(10)19(16,17)14-7-11(15)9-5-6-18-8-9/h1-6,8,11,14-15H,7H2
InChIKeyPUHJJQWWRXGZSX-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 97416938
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 75477657
3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 106434424
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
CID 177376824
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 90496558) is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1ccsc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is PUHJJQWWRXGZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S2/c13-10-3-1-2-4-12(10)19(16,17)14-7-11(15)9-5-6-18-8-9/h1-6,8,11,14-15H,7H2.
What are the key properties of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).