N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide

C12H19NO4S2 — CID 110790721

IUPACN-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C12H19NO4S2/c1-3-18(14,15)12-7-5-11(6-8-12)9-10-13-19(16,17)4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyWLMAZHBIKOIXMJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.96
Rot. Bonds7

About N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide

N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide (PubChem CID 110790721) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide
PubChem CID110790721
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC NameN-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C12H19NO4S2/c1-3-18(14,15)12-7-5-11(6-8-12)9-10-13-19(16,17)4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyWLMAZHBIKOIXMJ-UHFFFAOYSA-N
XLogP0.96
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
[2-(4-ethylsulfonylphenyl)ethylamino]methanethiol
CID 115228285
N-[2-(4-cyclopentylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790741
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
CID 54931498
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
CID 62304575
4-(2-chloroethyl)-N-(4-ethylsulfonylphenyl)aniline
CID 65029570
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
N-[2-(4-aminophenyl)ethyl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120715601
N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide (CID 110790721) is N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide?
The InChIKey is WLMAZHBIKOIXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-3-18(14,15)12-7-5-11(6-8-12)9-10-13-19(16,17)4-2/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide?
N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide has a molecular weight of 305.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110790721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).