N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide

C14H23N3O3S — CID 61254297

IUPACN-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-20-14-6-4-13(5-7-14)12(2)16-21(18,19)17-10-8-15-9-11-17/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyCOINATFSYBVHIX-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.89
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide

N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide (PubChem CID 61254297) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide
PubChem CID61254297
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-20-14-6-4-13(5-7-14)12(2)16-21(18,19)17-10-8-15-9-11-17/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyCOINATFSYBVHIX-UHFFFAOYSA-N
XLogP0.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 61253526
1-[(1R)-1-(4-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171287082
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide
CID 84760719
N-[1-(furan-2-yl)ethyl]piperazine-1-sulfonamide
CID 43535843
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
N-[1-(4-ethylphenyl)ethyl]morpholine-4-sulfonamide
CID 47141626
N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22204794
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
CID 74768382
N-[1-(2-methoxyphenyl)propyl]piperazine-1-sulfonamide
CID 61252728

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide (CID 61254297) is N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide is CCOc1ccc(C(C)NS(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide?
The InChIKey is COINATFSYBVHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-20-14-6-4-13(5-7-14)12(2)16-21(18,19)17-10-8-15-9-11-17/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide?
N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61254297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).