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

C13H21N3O2S — CID 61253526

IUPACN-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-11-3-5-13(6-4-11)12(2)15-19(17,18)16-9-7-14-8-10-16/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeySCKQDBGDIWXKNE-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.80
Rot. Bonds4

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

N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide (PubChem CID 61253526) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide
PubChem CID61253526
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H21N3O2S/c1-11-3-5-13(6-4-11)12(2)15-19(17,18)16-9-7-14-8-10-16/h3-6,12,14-15H,7-10H2,1-2H3
InChIKeySCKQDBGDIWXKNE-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide
CID 61254297
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-sulfonamide
CID 61253703
N-[1-(furan-2-yl)ethyl]piperazine-1-sulfonamide
CID 43535843
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61253512
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide
CID 79242650
N-propan-2-yl-1,4-diazepane-1-sulfonamide;hydrochloride
CID 120999320
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
N-(1-phenylpropyl)piperazine-1-sulfonamide
CID 62304382
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-[1-(4-ethylphenyl)ethyl]morpholine-4-sulfonamide
CID 47141626

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide (CID 61253526) is N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide?
The InChIKey is SCKQDBGDIWXKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-3-5-13(6-4-11)12(2)15-19(17,18)16-9-7-14-8-10-16/h3-6,12,14-15H,7-10H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide?
N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61253526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).