1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine

C30H28N2O5S — CID 10482055

IUPAC1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)CC1
InChIInChI=1S/C30H28N2O5S/c1-35-27-15-9-8-14-26(27)31-18-20-32(21-19-31)38(33,34)25-16-17-28-29(22-25)37-30(36-28,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-17,22H,18-21H2,1H3
InChIKeyAUYDKZDOPZTEPH-UHFFFAOYSA-N
MW528.63 g/mol
LogP4.88
Rot. Bonds6

About 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine

1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10482055) has the molecular formula C30H28N2O5S and a molecular weight of 528.63 g/mol. Its IUPAC name is 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10482055
Molecular FormulaC30H28N2O5S
Molecular Weight528.63 g/mol
Exact Mass528.17
IUPAC Name1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)CC1
InChIInChI=1S/C30H28N2O5S/c1-35-27-15-9-8-14-26(27)31-18-20-32(21-19-31)38(33,34)25-16-17-28-29(22-25)37-30(36-28,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-17,22H,18-21H2,1H3
InChIKeyAUYDKZDOPZTEPH-UHFFFAOYSA-N
XLogP4.88
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
7-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341329
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
(E)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enoic acid
CID 67010298
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
1-(2-methoxyphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
CID 1049011
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,2-benzoxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 50837988

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine (CID 10482055) is 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)CC1.
What is the InChIKey of 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is AUYDKZDOPZTEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5S/c1-35-27-15-9-8-14-26(27)31-18-20-32(21-19-31)38(33,34)25-16-17-28-29(22-25)37-30(36-28,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-17,22H,18-21H2,1H3.
What are the key properties of 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine?
1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 528.63 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diphenyl-1,3-benzodioxol-5-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10482055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).