1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide

C14H16FNO3S2 — CID 90524152

IUPAC1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCC(O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c15-12-4-1-3-11(9-12)10-21(18,19)16-7-6-13(17)14-5-2-8-20-14/h1-5,8-9,13,16-17H,6-7,10H2
InChIKeyXBELSXAUAQODEK-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.43
Rot. Bonds7

About 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide

1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide (PubChem CID 90524152) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide
PubChem CID90524152
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCCC(O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c15-12-4-1-3-11(9-12)10-21(18,19)16-7-6-13(17)14-5-2-8-20-14/h1-5,8-9,13,16-17H,6-7,10H2
InChIKeyXBELSXAUAQODEK-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide (CID 90524152) is 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCCC(O)c1cccs1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide?
The InChIKey is XBELSXAUAQODEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c15-12-4-1-3-11(9-12)10-21(18,19)16-7-6-13(17)14-5-2-8-20-14/h1-5,8-9,13,16-17H,6-7,10H2.
What are the key properties of 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide?
1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)methanesulfonamide is sourced from PubChem (CID 90524152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).