3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

C12H13FN2O3S2 — CID 106434424

IUPAC3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C12H13FN2O3S2/c13-9-3-10(14)5-11(4-9)20(17,18)15-6-12(16)8-1-2-19-7-8/h1-5,7,12,15-16H,6,14H2
InChIKeyGMZCDJAKWHXLCN-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.48
Rot. Bonds5

About 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 106434424) has the molecular formula C12H13FN2O3S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID106434424
Molecular FormulaC12H13FN2O3S2
Molecular Weight316.38 g/mol
Exact Mass316.04
IUPAC Name3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C12H13FN2O3S2/c13-9-3-10(14)5-11(4-9)20(17,18)15-6-12(16)8-1-2-19-7-8/h1-5,7,12,15-16H,6,14H2
InChIKeyGMZCDJAKWHXLCN-UHFFFAOYSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
CID 106434544
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66092430
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
CID 106436200

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 106434424) is 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is GMZCDJAKWHXLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S2/c13-9-3-10(14)5-11(4-9)20(17,18)15-6-12(16)8-1-2-19-7-8/h1-5,7,12,15-16H,6,14H2.
What are the key properties of 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106434424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).