1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide

C15H18FNO2S2 — CID 47019507

IUPAC1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(C)C(NS(=O)(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H18FNO2S2/c1-11(2)15(14-4-3-9-20-14)17-21(18,19)10-12-5-7-13(16)8-6-12/h3-9,11,15,17H,10H2,1-2H3
InChIKeyIUGLXMWCPKLEOF-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide

1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide (PubChem CID 47019507) has the molecular formula C15H18FNO2S2 and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide
PubChem CID47019507
Molecular FormulaC15H18FNO2S2
Molecular Weight327.45 g/mol
Exact Mass327.08
IUPAC Name1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(C)C(NS(=O)(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H18FNO2S2/c1-11(2)15(14-4-3-9-20-14)17-21(18,19)10-12-5-7-13(16)8-6-12/h3-9,11,15,17H,10H2,1-2H3
InChIKeyIUGLXMWCPKLEOF-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.70
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-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide (CID 47019507) is 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide is CC(C)C(NS(=O)(=O)Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide?
The InChIKey is IUGLXMWCPKLEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S2/c1-11(2)15(14-4-3-9-20-14)17-21(18,19)10-12-5-7-13(16)8-6-12/h3-9,11,15,17H,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)methanesulfonamide is sourced from PubChem (CID 47019507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).