2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine

C22H28N2O3S — CID 90567328

IUPAC2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-27-21-10-12-22(13-11-21)28(25,26)24-15-14-23(19-8-9-19)17-20(24)16-18-6-4-3-5-7-18/h3-7,10-13,19-20H,2,8-9,14-17H2,1H3
InChIKeyBWSWDNCUZAUXEB-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.17
Rot. Bonds7

About 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine

2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine (PubChem CID 90567328) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine
PubChem CID90567328
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-27-21-10-12-22(13-11-21)28(25,26)24-15-14-23(19-8-9-19)17-20(24)16-18-6-4-3-5-7-18/h3-7,10-13,19-20H,2,8-9,14-17H2,1H3
InChIKeyBWSWDNCUZAUXEB-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
CID 110644106
8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
CID 90567332
(2S)-2-benzyl-1,4,7,10-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 124870685
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740592
methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
[4-(4-ethoxyphenyl)sulfonylthiomorpholin-3-yl]methanol
CID 75443923
(3S)-1-(4-ethoxyphenyl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632088
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
5-[(2S)-1-(4-ethoxyphenyl)sulfonylpiperidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 52515333

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine (CID 90567328) is 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine?
The InChIKey is BWSWDNCUZAUXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-27-21-10-12-22(13-11-21)28(25,26)24-15-14-23(19-8-9-19)17-20(24)16-18-6-4-3-5-7-18/h3-7,10-13,19-20H,2,8-9,14-17H2,1H3.
What are the key properties of 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine?
2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine has a molecular weight of 400.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 90567328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).