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

C14H16FNO3S2 — CID 71782468

IUPAC1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1cccc(F)c1)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-14(17,13-6-3-7-20-13)10-16-21(18,19)9-11-4-2-5-12(15)8-11/h2-8,16-17H,9-10H2,1H3
InChIKeyXAAKGKPDQUHWKL-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.21
Rot. Bonds6

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

1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide (PubChem CID 71782468) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide
PubChem CID71782468
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1cccc(F)c1)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-14(17,13-6-3-7-20-13)10-16-21(18,19)9-11-4-2-5-12(15)8-11/h2-8,16-17H,9-10H2,1H3
InChIKeyXAAKGKPDQUHWKL-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.21
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-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide (CID 71782468) is 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide is CC(O)(CNS(=O)(=O)Cc1cccc(F)c1)c1cccs1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide?
The InChIKey is XAAKGKPDQUHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-14(17,13-6-3-7-20-13)10-16-21(18,19)9-11-4-2-5-12(15)8-11/h2-8,16-17H,9-10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide?
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)methanesulfonamide is sourced from PubChem (CID 71782468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).