2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide

C15H25N3O3S — CID 120763359

IUPAC2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-12(2)17(3)22(19,20)18-10-9-16-11-14(18)13-7-5-6-8-15(13)21-4/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyQCQXJBPUFUHOEK-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.23
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide

2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 120763359) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID120763359
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-12(2)17(3)22(19,20)18-10-9-16-11-14(18)13-7-5-6-8-15(13)21-4/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyQCQXJBPUFUHOEK-UHFFFAOYSA-N
XLogP1.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120763163
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
CID 120876689
2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120763011
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide (CID 120763359) is 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide is COc1ccccc1C1CNCCN1S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is QCQXJBPUFUHOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12(2)17(3)22(19,20)18-10-9-16-11-14(18)13-7-5-6-8-15(13)21-4/h5-8,12,14,16H,9-11H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide?
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 120763359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).