1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine

C21H26Cl2N2O8S2 — CID 44787244

IUPAC1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)C(C)C2)c(OC)cc1Cl
InChIInChI=1S/C21H26Cl2N2O8S2/c1-13-12-24(34(26,27)20-10-16(30-2)14(22)8-18(20)32-4)6-7-25(13)35(28,29)21-11-17(31-3)15(23)9-19(21)33-5/h8-11,13H,6-7,12H2,1-5H3
InChIKeyIOXSRAIVZRIJBF-UHFFFAOYSA-N
MW569.49 g/mol
LogP3.11
Rot. Bonds8

About 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine

1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine (PubChem CID 44787244) has the molecular formula C21H26Cl2N2O8S2 and a molecular weight of 569.49 g/mol. Its IUPAC name is 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
PubChem CID44787244
Molecular FormulaC21H26Cl2N2O8S2
Molecular Weight569.49 g/mol
Exact Mass568.05
IUPAC Name1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)C(C)C2)c(OC)cc1Cl
InChIInChI=1S/C21H26Cl2N2O8S2/c1-13-12-24(34(26,27)20-10-16(30-2)14(22)8-18(20)32-4)6-7-25(13)35(28,29)21-11-17(31-3)15(23)9-19(21)33-5/h8-11,13H,6-7,12H2,1-5H3
InChIKeyIOXSRAIVZRIJBF-UHFFFAOYSA-N
XLogP3.11
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-methyl-1,4-bis[(2,4,5-trichlorophenyl)sulfonyl]piperazine
CID 98212086
4-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 163308289
(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98212078
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
(2R)-1,4-bis[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98161840
1-(2-bromo-5-chloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine
CID 119970051
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine (CID 44787244) is 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine is COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)C(C)C2)c(OC)cc1Cl.
What is the InChIKey of 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine?
The InChIKey is IOXSRAIVZRIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O8S2/c1-13-12-24(34(26,27)20-10-16(30-2)14(22)8-18(20)32-4)6-7-25(13)35(28,29)21-11-17(31-3)15(23)9-19(21)33-5/h8-11,13H,6-7,12H2,1-5H3.
What are the key properties of 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine?
1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine has a molecular weight of 569.49 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 44787244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).