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

C16H18FNO4S2 — CID 97416953

IUPAC5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC[C@H](O)c1ccc(SC)cc1
InChIInChI=1S/C16H18FNO4S2/c1-22-15-8-5-12(17)9-16(15)24(20,21)18-10-14(19)11-3-6-13(23-2)7-4-11/h3-9,14,18-19H,10H2,1-2H3/t14-/m0/s1
InChIKeyUSWLHKDOZWVCHH-AWEZNQCLSA-N
MW371.46 g/mol
LogP2.57
Rot. Bonds7

About 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide

5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 97416953) has the molecular formula C16H18FNO4S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID97416953
Molecular FormulaC16H18FNO4S2
Molecular Weight371.46 g/mol
Exact Mass371.07
IUPAC Name5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC[C@H](O)c1ccc(SC)cc1
InChIInChI=1S/C16H18FNO4S2/c1-22-15-8-5-12(17)9-16(15)24(20,21)18-10-14(19)11-3-6-13(23-2)7-4-11/h3-9,14,18-19H,10H2,1-2H3/t14-/m0/s1
InChIKeyUSWLHKDOZWVCHH-AWEZNQCLSA-N
XLogP2.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide (CID 97416953) is 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NC[C@H](O)c1ccc(SC)cc1.
What is the InChIKey of 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is USWLHKDOZWVCHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18FNO4S2/c1-22-15-8-5-12(17)9-16(15)24(20,21)18-10-14(19)11-3-6-13(23-2)7-4-11/h3-9,14,18-19H,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 97416953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).