4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine

C20H24N2O3S — CID 90566970

IUPAC4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-25-19-9-5-6-10-20(19)26(23,24)22-14-13-21(17-11-12-17)15-18(22)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3
InChIKeyGXKCMOFWLUOCIT-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.91
Rot. Bonds5

About 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine

4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine (PubChem CID 90566970) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine.

Molecular Properties

Compound Name4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine
PubChem CID90566970
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine
SMILESCOc1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-25-19-9-5-6-10-20(19)26(23,24)22-14-13-21(17-11-12-17)15-18(22)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3
InChIKeyGXKCMOFWLUOCIT-UHFFFAOYSA-N
XLogP2.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine
CID 90566974
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 91813618
4-(2-methoxyphenyl)sulfonyl-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192158
4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43092681
(2S)-4-hydroxy-1-(2-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61144403
1-(2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-2-carboxylic acid
CID 104937236
(2S,3S)-1-(2-methoxyphenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105449
2-[(1S,5S)-9-(2-methoxyphenyl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid
CID 135091352
1-[2-(4-cyclopropyl-2-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 90566952
4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 163308289
methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
CID 115279294

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine?
The IUPAC name of 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine (CID 90566970) is 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine.
What is the SMILES notation for 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine?
The canonical SMILES for 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine is COc1ccccc1S(=O)(=O)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine?
The InChIKey is GXKCMOFWLUOCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-25-19-9-5-6-10-20(19)26(23,24)22-14-13-21(17-11-12-17)15-18(22)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3.
What are the key properties of 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine?
4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine has a molecular weight of 372.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(2-methoxyphenyl)sulfonyl-2-phenylpiperazine is sourced from PubChem (CID 90566970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).