1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

C27H29ClF2N2O5S — CID 46099006

IUPAC1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(OCc3c(F)cccc3F)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C27H29ClF2N2O5S/c1-35-25-11-10-21(16-26(25)36-2)38(33,34)32-14-12-31(13-15-32)17-27(19-6-8-20(28)9-7-19)37-18-22-23(29)4-3-5-24(22)30/h3-11,16,27H,12-15,17-18H2,1-2H3
InChIKeyQZAZDAOARJVXEC-UHFFFAOYSA-N
MW567.05 g/mol
LogP4.90
Rot. Bonds10

About 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 46099006) has the molecular formula C27H29ClF2N2O5S and a molecular weight of 567.05 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
PubChem CID46099006
Molecular FormulaC27H29ClF2N2O5S
Molecular Weight567.05 g/mol
Exact Mass566.15
IUPAC Name1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(OCc3c(F)cccc3F)c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C27H29ClF2N2O5S/c1-35-25-11-10-21(16-26(25)36-2)38(33,34)32-14-12-31(13-15-32)17-27(19-6-8-20(28)9-7-19)37-18-22-23(29)4-3-5-24(22)30/h3-11,16,27H,12-15,17-18H2,1-2H3
InChIKeyQZAZDAOARJVXEC-UHFFFAOYSA-N
XLogP4.90
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.05
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (CID 46099006) is 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(CC(OCc3c(F)cccc3F)c3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is QZAZDAOARJVXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClF2N2O5S/c1-35-25-11-10-21(16-26(25)36-2)38(33,34)32-14-12-31(13-15-32)17-27(19-6-8-20(28)9-7-19)37-18-22-23(29)4-3-5-24(22)30/h3-11,16,27H,12-15,17-18H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 567.05 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 46099006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).