N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide

C13H21N3O2S — CID 79755749

IUPACN-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H21N3O2S/c1-12-4-2-3-5-13(12)6-7-15-19(17,18)16-10-8-14-9-11-16/h2-5,14-15H,6-11H2,1H3
InChIKeyJKHQIBFBPYUCDB-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.28
Rot. Bonds5

About N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide

N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide (PubChem CID 79755749) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
PubChem CID79755749
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H21N3O2S/c1-12-4-2-3-5-13(12)6-7-15-19(17,18)16-10-8-14-9-11-16/h2-5,14-15H,6-11H2,1H3
InChIKeyJKHQIBFBPYUCDB-UHFFFAOYSA-N
XLogP0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide (CID 79755749) is N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide is Cc1ccccc1CCNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide?
The InChIKey is JKHQIBFBPYUCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12-4-2-3-5-13(12)6-7-15-19(17,18)16-10-8-14-9-11-16/h2-5,14-15H,6-11H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide?
N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 79755749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).