1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine

C17H17Cl3N2O3S — CID 91670186

IUPAC1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Cl
InChIInChI=1S/C17H17Cl3N2O3S/c1-25-16-11-12(5-6-13(16)18)26(23,24)22-9-7-21(8-10-22)15-4-2-3-14(19)17(15)20/h2-6,11H,7-10H2,1H3
InChIKeyQTNIFMCBUCXKPW-UHFFFAOYSA-N
MW435.76 g/mol
LogP4.17
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine

1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine (PubChem CID 91670186) has the molecular formula C17H17Cl3N2O3S and a molecular weight of 435.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
PubChem CID91670186
Molecular FormulaC17H17Cl3N2O3S
Molecular Weight435.76 g/mol
Exact Mass434.00
IUPAC Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Cl
InChIInChI=1S/C17H17Cl3N2O3S/c1-25-16-11-12(5-6-13(16)18)26(23,24)22-9-7-21(8-10-22)15-4-2-3-14(19)17(15)20/h2-6,11H,7-10H2,1H3
InChIKeyQTNIFMCBUCXKPW-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-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16645607
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
(3S,5S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 27244442
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
CID 16644901
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine (CID 91670186) is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine is COc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine?
The InChIKey is QTNIFMCBUCXKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S/c1-25-16-11-12(5-6-13(16)18)26(23,24)22-9-7-21(8-10-22)15-4-2-3-14(19)17(15)20/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine?
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-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-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine is sourced from PubChem (CID 91670186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).