1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine

C18H20N2O3S — CID 13728505

IUPAC1-phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine
SMILESC1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3C(O3)C4=CC=CC=C4
InChIInChI=1S/C18H20N2O3S/c21-24(22,18-17(23-18)15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUPZFQDXXSQSJFN-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.40
Rot. Bonds4

About 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine

1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine (PubChem CID 13728505) has the molecular formula C18H20N2O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine
PubChem CID13728505
Molecular FormulaC18H20N2O3S
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name1-phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine
SMILESC1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3C(O3)C4=CC=CC=C4
InChIInChI=1S/C18H20N2O3S/c21-24(22,18-17(23-18)15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUPZFQDXXSQSJFN-UHFFFAOYSA-N
XLogP2.40
TPSA61.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity513

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Sonepiprazole
CID 133079
4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]-benzenesulfonamide
CID 10811059
1-Benzylsulfonyl-4-(4-methoxyphenyl)piperazine
CID 895241
1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine
CID 164616454
1-phenyl-4-[2-[(2S,6R)-6-phenyloxan-2-yl]ethyl]piperazine
CID 164622226
PNU 101387;Sonepiprazole
CID 128010
1-(3-Phenyloxiran-2-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 13728508
(3R,4S)-3-(phenylmethoxymethyl)-4-(4-phenylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51360546
(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-[3-[(2S)-2-(trifluoromethyl)oxiran-2-yl]phenyl]sulfonylpiperazine
CID 53495833
2-Phenyl-4-(phenylmethoxymethyl)-1,2-thiazolidine 1,1-dioxide
CID 132459397
(4S,5R)-1-oxido-2,5-diphenyl-4-(phenylmethoxymethyl)-4,5-dihydro-3H-1,2-thiazole 1-oxide
CID 134786822
1-[4-(2-Fluorophenyl)piperazin-1-yl]-3-phenylmethoxypropane-2-thiol
CID 4418859

Frequently Asked Questions

What is the IUPAC name of 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine?
The IUPAC name of 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine (CID 13728505) is 1-phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine is C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3C(O3)C4=CC=CC=C4.
What is the InChIKey of 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine?
The InChIKey is UPZFQDXXSQSJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-24(22,18-17(23-18)15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine?
1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine has a molecular weight of 344.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine is sourced from PubChem (CID 13728505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).