N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide

C14H23N3O3S — CID 84760719

IUPACN-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide
SMILESCC(C)COc1ccc(NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3O3S/c1-12(2)11-20-14-5-3-13(4-6-14)16-21(18,19)17-9-7-15-8-10-17/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyPRVDXLSLTFRSEK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.28
Rot. Bonds6

About N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide

N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide (PubChem CID 84760719) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide
PubChem CID84760719
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide
SMILESCC(C)COc1ccc(NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3O3S/c1-12(2)11-20-14-5-3-13(4-6-14)16-21(18,19)17-9-7-15-8-10-17/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyPRVDXLSLTFRSEK-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
N-(4-cyanophenyl)piperazine-1-sulfonamide
CID 28775902
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646
N-(4-ethoxyphenyl)azepane-1-sulfonamide
CID 2988232
N-[1-(4-ethoxyphenyl)ethyl]piperazine-1-sulfonamide
CID 61254297
N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide
CID 61252719
N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide
CID 61253139
N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide
CID 61254488
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
CID 43369622
2-methyl-2-[4-(2-methylpropoxy)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95501063
N-(1-methylpyrazol-4-yl)piperazine-1-sulfonamide
CID 43535244

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide?
The IUPAC name of N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide (CID 84760719) is N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide is CC(C)COc1ccc(NS(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide?
The InChIKey is PRVDXLSLTFRSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12(2)11-20-14-5-3-13(4-6-14)16-21(18,19)17-9-7-15-8-10-17/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide?
N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide is sourced from PubChem (CID 84760719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).