1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine

C17H17Cl3N2O3S — CID 1178550

IUPAC1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C17H17Cl3N2O3S/c1-25-13-3-5-15(20)17(11-13)26(23,24)22-8-6-21(7-9-22)16-10-12(18)2-4-14(16)19/h2-5,10-11H,6-9H2,1H3
InChIKeyRCROGWXEORZNSL-UHFFFAOYSA-N
MW435.76 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine

1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine (PubChem CID 1178550) has the molecular formula C17H17Cl3N2O3S and a molecular weight of 435.76 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
PubChem CID1178550
Molecular FormulaC17H17Cl3N2O3S
Molecular Weight435.76 g/mol
Exact Mass434.00
IUPAC Name1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C17H17Cl3N2O3S/c1-25-13-3-5-15(20)17(11-13)26(23,24)22-8-6-21(7-9-22)16-10-12(18)2-4-14(16)19/h2-5,10-11H,6-9H2,1H3
InChIKeyRCROGWXEORZNSL-UHFFFAOYSA-N
XLogP4.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178553
1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961618
1-(2,5-dichlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 1289983
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26870111
methyl 2-[4-[4-(2,5-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanoate
CID 167946256
1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974773
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
1-(4-chloro-2-nitrophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 9111502
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 91670116

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine (CID 1178550) is 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine is COc1ccc(Cl)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
The InChIKey is RCROGWXEORZNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S/c1-25-13-3-5-15(20)17(11-13)26(23,24)22-8-6-21(7-9-22)16-10-12(18)2-4-14(16)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine?
1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine has a molecular weight of 435.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine is sourced from PubChem (CID 1178550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).