N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide

C14H14FNO4S2 — CID 54774356

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4S2/c15-12-6-8-13(9-7-12)21(17,18)11-10-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2
InChIKeyLRAFCYJDEONPEG-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide

N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide (PubChem CID 54774356) has the molecular formula C14H14FNO4S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
PubChem CID54774356
Molecular FormulaC14H14FNO4S2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4S2/c15-12-6-8-13(9-7-12)21(17,18)11-10-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2
InChIKeyLRAFCYJDEONPEG-UHFFFAOYSA-N
XLogP1.58
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115631989
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide (CID 54774356) is N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide is O=S(=O)(CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
The InChIKey is LRAFCYJDEONPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S2/c15-12-6-8-13(9-7-12)21(17,18)11-10-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2.
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide?
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide has a molecular weight of 343.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 54774356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).