5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide

C14H16FNO4S2 — CID 56764050

IUPAC5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC(O)c1sccc1C
InChIInChI=1S/C14H16FNO4S2/c1-9-5-6-21-14(9)11(17)8-16-22(18,19)13-7-10(15)3-4-12(13)20-2/h3-7,11,16-17H,8H2,1-2H3
InChIKeyGOPCUXZFRUZSLN-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.22
Rot. Bonds6

About 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide

5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 56764050) has the molecular formula C14H16FNO4S2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID56764050
Molecular FormulaC14H16FNO4S2
Molecular Weight345.42 g/mol
Exact Mass345.05
IUPAC Name5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC(O)c1sccc1C
InChIInChI=1S/C14H16FNO4S2/c1-9-5-6-21-14(9)11(17)8-16-22(18,19)13-7-10(15)3-4-12(13)20-2/h3-7,11,16-17H,8H2,1-2H3
InChIKeyGOPCUXZFRUZSLN-UHFFFAOYSA-N
XLogP2.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide (CID 56764050) is 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCC(O)c1sccc1C.
What is the InChIKey of 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is GOPCUXZFRUZSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4S2/c1-9-5-6-21-14(9)11(17)8-16-22(18,19)13-7-10(15)3-4-12(13)20-2/h3-7,11,16-17H,8H2,1-2H3.
What are the key properties of 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 56764050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).