1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide

C13H14FNO2S2 — CID 47019505

IUPAC1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H14FNO2S2/c1-10(13-3-2-8-18-13)15-19(16,17)9-11-4-6-12(14)7-5-11/h2-8,10,15H,9H2,1H3
InChIKeyZYSFYBGRUURMQZ-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide

1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide (PubChem CID 47019505) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide
PubChem CID47019505
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC Name1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H14FNO2S2/c1-10(13-3-2-8-18-13)15-19(16,17)9-11-4-6-12(14)7-5-11/h2-8,10,15H,9H2,1H3
InChIKeyZYSFYBGRUURMQZ-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide (CID 47019505) is 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide is CC(NS(=O)(=O)Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide?
The InChIKey is ZYSFYBGRUURMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-10(13-3-2-8-18-13)15-19(16,17)9-11-4-6-12(14)7-5-11/h2-8,10,15H,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-thiophen-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 47019505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).