(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine

C19H20Cl4N2O6S2 — CID 98212078

IUPAC(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3OC)[C@H](C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl4N2O6S2/c1-11-10-24(32(26,27)14-6-4-12(20)16(22)18(14)30-2)8-9-25(11)33(28,29)15-7-5-13(21)17(23)19(15)31-3/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyNGRMBPISSNOVAG-LLVKDONJSA-N
MW578.32 g/mol
LogP4.40
Rot. Bonds6

About (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine

(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine (PubChem CID 98212078) has the molecular formula C19H20Cl4N2O6S2 and a molecular weight of 578.32 g/mol. Its IUPAC name is (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
PubChem CID98212078
Molecular FormulaC19H20Cl4N2O6S2
Molecular Weight578.32 g/mol
Exact Mass575.95
IUPAC Name(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3OC)[C@H](C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl4N2O6S2/c1-11-10-24(32(26,27)14-6-4-12(20)16(22)18(14)30-2)8-9-25(11)33(28,29)15-7-5-13(21)17(23)19(15)31-3/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKeyNGRMBPISSNOVAG-LLVKDONJSA-N
XLogP4.40
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 25248844
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 50876448
1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
CID 44787244
(2R)-2-methyl-1,4-bis[(2,4,5-trichlorophenyl)sulfonyl]piperazine
CID 98212086
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 2178853
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 47071466
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 15992527
(2R)-1,4-bis[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98161840
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine (CID 98212078) is (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine is COc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3OC)[C@H](C)C2)ccc(Cl)c1Cl.
What is the InChIKey of (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine?
The InChIKey is NGRMBPISSNOVAG-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20Cl4N2O6S2/c1-11-10-24(32(26,27)14-6-4-12(20)16(22)18(14)30-2)8-9-25(11)33(28,29)15-7-5-13(21)17(23)19(15)31-3/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine?
(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine has a molecular weight of 578.32 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 98212078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).