N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide

C13H14FNO4S3 — CID 44649354

IUPACN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H14FNO4S3/c1-21(16,17)15-9-12(10-4-6-11(14)7-5-10)22(18,19)13-3-2-8-20-13/h2-8,12,15H,9H2,1H3
InChIKeyHYGXSDBCUFUJGB-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide (PubChem CID 44649354) has the molecular formula C13H14FNO4S3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
PubChem CID44649354
Molecular FormulaC13H14FNO4S3
Molecular Weight363.46 g/mol
Exact Mass363.01
IUPAC NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H14FNO4S3/c1-21(16,17)15-9-12(10-4-6-11(14)7-5-10)22(18,19)13-3-2-8-20-13/h2-8,12,15H,9H2,1H3
InChIKeyHYGXSDBCUFUJGB-UHFFFAOYSA-N
XLogP1.95
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 51662831
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51662837
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
CID 44649372
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
CID 9182326
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide (CID 44649354) is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide is CS(=O)(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide?
The InChIKey is HYGXSDBCUFUJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4S3/c1-21(16,17)15-9-12(10-4-6-11(14)7-5-10)22(18,19)13-3-2-8-20-13/h2-8,12,15H,9H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide?
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide is sourced from PubChem (CID 44649354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).