4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide

C14H16FNO3S2 — CID 56764044

IUPAC4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2sccc2C)ccc1F
InChIInChI=1S/C14H16FNO3S2/c1-9-5-6-20-14(9)13(17)8-16-21(18,19)11-3-4-12(15)10(2)7-11/h3-7,13,16-17H,8H2,1-2H3
InChIKeyVWHMLTZBRCTWIO-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.52
Rot. Bonds5

About 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 56764044) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide
PubChem CID56764044
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2sccc2C)ccc1F
InChIInChI=1S/C14H16FNO3S2/c1-9-5-6-20-14(9)13(17)8-16-21(18,19)11-3-4-12(15)10(2)7-11/h3-7,13,16-17H,8H2,1-2H3
InChIKeyVWHMLTZBRCTWIO-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide (CID 56764044) is 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(O)c2sccc2C)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is VWHMLTZBRCTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-9-5-6-20-14(9)13(17)8-16-21(18,19)11-3-4-12(15)10(2)7-11/h3-7,13,16-17H,8H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 56764044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).