2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C12H11F2NO2S2 — CID 40753479

IUPAC2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NO2S2/c13-9-3-4-11(14)12(8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6H2
InChIKeyFYWJSMPVKCADRD-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.55
Rot. Bonds5

About 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 40753479) has the molecular formula C12H11F2NO2S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID40753479
Molecular FormulaC12H11F2NO2S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC Name2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C12H11F2NO2S2/c13-9-3-4-11(14)12(8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6H2
InChIKeyFYWJSMPVKCADRD-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(2-thiophen-2-ylethylsulfamoyl)benzoate
CID 9160250
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264394
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
N-[(2,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 43312639
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869
3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 21110298

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 40753479) is 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1cccs1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is FYWJSMPVKCADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S2/c13-9-3-4-11(14)12(8-9)19(16,17)15-6-5-10-2-1-7-18-10/h1-4,7-8,15H,5-6H2.
What are the key properties of 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 303.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 40753479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).