1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine

C28H34N2O3S — CID 46102630

IUPAC1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O3S/c1-2-9-24-14-16-27(17-15-24)34(31,32)30-20-18-29(19-21-30)22-23-33-28(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-17,28H,2,9,18-23H2,1H3
InChIKeyCRWPFRXFFDONKP-UHFFFAOYSA-N
MW478.66 g/mol
LogP4.75
Rot. Bonds10

About 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine

1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 46102630) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID46102630
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC Name1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O3S/c1-2-9-24-14-16-27(17-15-24)34(31,32)30-20-18-29(19-21-30)22-23-33-28(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-17,28H,2,9,18-23H2,1H3
InChIKeyCRWPFRXFFDONKP-UHFFFAOYSA-N
XLogP4.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(R)-(3,4-difluorophenyl)-phenylmethoxy]ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 92772362
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
4-[4-[phenyl-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethoxy]methyl]phenyl]morpholine
CID 46102631
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
1-(3,5-difluorophenyl)sulfonyl-4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 46102646
1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22207951
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
N-[(2R)-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8678550

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine (CID 46102630) is 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is CRWPFRXFFDONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S/c1-2-9-24-14-16-27(17-15-24)34(31,32)30-20-18-29(19-21-30)22-23-33-28(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-17,28H,2,9,18-23H2,1H3.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine?
1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 478.66 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 46102630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).