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

C12H19NO3S — CID 110788129

IUPACN-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)CC)cc1
InChIInChI=1S/C12H19NO3S/c1-3-16-12-7-5-11(6-8-12)9-10-13-17(14,15)4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyLZJKGWNHDLZCNI-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.57
Rot. Bonds7

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

N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 110788129) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
PubChem CID110788129
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)CC)cc1
InChIInChI=1S/C12H19NO3S/c1-3-16-12-7-5-11(6-8-12)9-10-13-17(14,15)4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyLZJKGWNHDLZCNI-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788916
N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790721
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3527487
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 4686096
N-[(4-butoxyphenyl)methyl]ethanesulfonamide
CID 110781180
3-(4-ethoxyphenyl)propane-1-sulfonyl chloride
CID 98790103
N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202111

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide (CID 110788129) is N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide is CCOc1ccc(CCNS(=O)(=O)CC)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is LZJKGWNHDLZCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-16-12-7-5-11(6-8-12)9-10-13-17(14,15)4-2/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide?
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110788129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).