2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide

C15H16FNO3S2 — CID 97416938

IUPAC2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
SMILESCSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H16FNO3S2/c1-21-12-8-6-11(7-9-12)14(18)10-17-22(19,20)15-5-3-2-4-13(15)16/h2-9,14,17-18H,10H2,1H3/t14-/m0/s1
InChIKeyKKPPETWFSXWUSO-AWEZNQCLSA-N
MW341.43 g/mol
LogP2.56
Rot. Bonds6

About 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide

2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide (PubChem CID 97416938) has the molecular formula C15H16FNO3S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
PubChem CID97416938
Molecular FormulaC15H16FNO3S2
Molecular Weight341.43 g/mol
Exact Mass341.06
IUPAC Name2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
SMILESCSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C15H16FNO3S2/c1-21-12-8-6-11(7-9-12)14(18)10-17-22(19,20)15-5-3-2-4-13(15)16/h2-9,14,17-18H,10H2,1H3/t14-/m0/s1
InChIKeyKKPPETWFSXWUSO-AWEZNQCLSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90581942
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 90581913
N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
CID 177376824
N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 97416987
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97325974
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 79206674

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide (CID 97416938) is 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide is CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The InChIKey is KKPPETWFSXWUSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16FNO3S2/c1-21-12-8-6-11(7-9-12)14(18)10-17-22(19,20)15-5-3-2-4-13(15)16/h2-9,14,17-18H,10H2,1H3/t14-/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97416938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).