N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide

C13H21N3O2S — CID 58996595

IUPACN-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide
SMILESCCN(c1ccccc1N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-3-16(19(2,17)18)13-7-5-4-6-12(13)15-10-8-14-9-11-15/h4-7,14H,3,8-11H2,1-2H3
InChIKeyIUFAYCGPMZDLBK-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.88
Rot. Bonds4

About N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide

N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide (PubChem CID 58996595) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide
PubChem CID58996595
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide
SMILESCCN(c1ccccc1N1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-3-16(19(2,17)18)13-7-5-4-6-12(13)15-10-8-14-9-11-15/h4-7,14H,3,8-11H2,1-2H3
InChIKeyIUFAYCGPMZDLBK-UHFFFAOYSA-N
XLogP0.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide (CID 58996595) is N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide is CCN(c1ccccc1N1CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide?
The InChIKey is IUFAYCGPMZDLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-16(19(2,17)18)13-7-5-4-6-12(13)15-10-8-14-9-11-15/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide?
N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-piperazin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 58996595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).