1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine

C19H22Cl2N2O3S — CID 38124942

IUPAC1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2O3S/c1-26-17-4-2-3-16(14-17)23-9-7-22(8-10-23)11-12-27(24,25)19-13-15(20)5-6-18(19)21/h2-6,13-14H,7-12H2,1H3
InChIKeyRXQKMNRLUUBNFM-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.60
Rot. Bonds6

About 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine

1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 38124942) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine
PubChem CID38124942
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2O3S/c1-26-17-4-2-3-16(14-17)23-9-7-22(8-10-23)11-12-27(24,25)19-13-15(20)5-6-18(19)21/h2-6,13-14H,7-12H2,1H3
InChIKeyRXQKMNRLUUBNFM-UHFFFAOYSA-N
XLogP3.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 78898556
4-[4-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,4-diazepan-1-yl]benzonitrile
CID 55703278
phenyl 2-[4-(3-chlorophenyl)piperazin-1-yl]ethanesulfonate
CID 8529702
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 27197013
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,4-dihydro-1H-isoquinoline
CID 8896966
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
2,5-dichloro-N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 4002663
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine (CID 38124942) is 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is RXQKMNRLUUBNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-26-17-4-2-3-16(14-17)23-9-7-22(8-10-23)11-12-27(24,25)19-13-15(20)5-6-18(19)21/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine?
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 429.37 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 38124942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).