1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide

C14H16FNO3S2 — CID 110663722

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide
SMILESCN(CC(O)c1cccs1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S2/c1-16(9-13(17)14-3-2-8-20-14)21(18,19)10-11-4-6-12(15)7-5-11/h2-8,13,17H,9-10H2,1H3
InChIKeyHRZULISAMOZDBG-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide

1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide (PubChem CID 110663722) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide
PubChem CID110663722
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide
SMILESCN(CC(O)c1cccs1)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO3S2/c1-16(9-13(17)14-3-2-8-20-14)21(18,19)10-11-4-6-12(15)7-5-11/h2-8,13,17H,9-10H2,1H3
InChIKeyHRZULISAMOZDBG-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylmethanesulfonamide
CID 54999330
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbenzenesulfonamide
CID 110663687
2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787802
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 112503984
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 43574734
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
2-amino-N-[(4-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286090

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide (CID 110663722) is 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide is CN(CC(O)c1cccs1)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide?
The InChIKey is HRZULISAMOZDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-16(9-13(17)14-3-2-8-20-14)21(18,19)10-11-4-6-12(15)7-5-11/h2-8,13,17H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide?
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 110663722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).