1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine

C21H28N2O6S2 — CID 4598462

IUPAC1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)C(C)C2)cc1C
InChIInChI=1S/C21H28N2O6S2/c1-15-12-18(6-8-20(15)28-4)30(24,25)22-10-11-23(17(3)14-22)31(26,27)19-7-9-21(29-5)16(2)13-19/h6-9,12-13,17H,10-11,14H2,1-5H3
InChIKeySIDSHKMMDCTKIL-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.40
Rot. Bonds6

About 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine

1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine (PubChem CID 4598462) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
PubChem CID4598462
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)C(C)C2)cc1C
InChIInChI=1S/C21H28N2O6S2/c1-15-12-18(6-8-20(15)28-4)30(24,25)22-10-11-23(17(3)14-22)31(26,27)19-7-9-21(29-5)16(2)13-19/h6-9,12-13,17H,10-11,14H2,1-5H3
InChIKeySIDSHKMMDCTKIL-UHFFFAOYSA-N
XLogP2.40
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880
(2R)-1,4-bis[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98161840
1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 15992527
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725829
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-(6-fluoro-2-pyridinyl)-4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylpiperazine
CID 172882574
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine (CID 4598462) is 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine is COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)C(C)C2)cc1C.
What is the InChIKey of 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine?
The InChIKey is SIDSHKMMDCTKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-15-12-18(6-8-20(15)28-4)30(24,25)22-10-11-23(17(3)14-22)31(26,27)19-7-9-21(29-5)16(2)13-19/h6-9,12-13,17H,10-11,14H2,1-5H3.
What are the key properties of 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine?
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine has a molecular weight of 468.60 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 4598462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).