N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide

C15H18FNO4S3 — CID 44649356

IUPACN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18FNO4S3/c1-2-10-23(18,19)17-11-14(12-5-7-13(16)8-6-12)24(20,21)15-4-3-9-22-15/h3-9,14,17H,2,10-11H2,1H3
InChIKeyUFRFZKRFSNIEPS-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide (PubChem CID 44649356) has the molecular formula C15H18FNO4S3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
PubChem CID44649356
Molecular FormulaC15H18FNO4S3
Molecular Weight391.51 g/mol
Exact Mass391.04
IUPAC NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18FNO4S3/c1-2-10-23(18,19)17-11-14(12-5-7-13(16)8-6-12)24(20,21)15-4-3-9-22-15/h3-9,14,17H,2,10-11H2,1H3
InChIKeyUFRFZKRFSNIEPS-UHFFFAOYSA-N
XLogP2.73
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]butane-1-sulfonamide
CID 9181104
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-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
CID 110605719
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopropanecarboxamide
CID 9182162

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide (CID 44649356) is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide?
The InChIKey is UFRFZKRFSNIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4S3/c1-2-10-23(18,19)17-11-14(12-5-7-13(16)8-6-12)24(20,21)15-4-3-9-22-15/h3-9,14,17H,2,10-11H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide?
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide has a molecular weight of 391.51 g/mol, XLogP of 2.73, 8 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]propane-1-sulfonamide is sourced from PubChem (CID 44649356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).