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

C19H24N2O6S2 — CID 51708398

IUPAC(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1
InChIInChI=1S/C19H24N2O6S2/c1-15-14-20(28(22,23)18-8-4-16(26-2)5-9-18)12-13-21(15)29(24,25)19-10-6-17(27-3)7-11-19/h4-11,15H,12-14H2,1-3H3/t15-/m1/s1
InChIKeyMCGWXIKBYQBLFA-OAHLLOKOSA-N
MW440.54 g/mol
LogP1.79
Rot. Bonds6

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

(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine (PubChem CID 51708398) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
PubChem CID51708398
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1
InChIInChI=1S/C19H24N2O6S2/c1-15-14-20(28(22,23)18-8-4-16(26-2)5-9-18)12-13-21(15)29(24,25)19-10-6-17(27-3)7-11-19/h4-11,15H,12-14H2,1-3H3/t15-/m1/s1
InChIKeyMCGWXIKBYQBLFA-OAHLLOKOSA-N
XLogP1.79
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
4-(4-iodophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 5167462
(2R)-1,4-bis[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98161840
1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742444
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-diazepane
CID 82249735
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine (CID 51708398) is (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine is COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@H](C)C2)cc1.
What is the InChIKey of (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine?
The InChIKey is MCGWXIKBYQBLFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-15-14-20(28(22,23)18-8-4-16(26-2)5-9-18)12-13-21(15)29(24,25)19-10-6-17(27-3)7-11-19/h4-11,15H,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine?
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine has a molecular weight of 440.54 g/mol, XLogP of 1.79, 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[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 51708398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).