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

C19H22Cl2N2O4S2 — CID 2896474

IUPAC1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C(C)C1
InChIInChI=1S/C19H22Cl2N2O4S2/c1-13-4-6-16(20)10-18(13)28(24,25)22-8-9-23(15(3)12-22)29(26,27)19-11-17(21)7-5-14(19)2/h4-7,10-11,15H,8-9,12H2,1-3H3
InChIKeyZTTSPDVPZLUNCM-UHFFFAOYSA-N
MW477.44 g/mol
LogP3.69
Rot. Bonds4

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

1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine (PubChem CID 2896474) has the molecular formula C19H22Cl2N2O4S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine
PubChem CID2896474
Molecular FormulaC19H22Cl2N2O4S2
Molecular Weight477.44 g/mol
Exact Mass476.04
IUPAC Name1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C(C)C1
InChIInChI=1S/C19H22Cl2N2O4S2/c1-13-4-6-16(20)10-18(13)28(24,25)22-8-9-23(15(3)12-22)29(26,27)19-11-17(21)7-5-14(19)2/h4-7,10-11,15H,8-9,12H2,1-3H3
InChIKeyZTTSPDVPZLUNCM-UHFFFAOYSA-N
XLogP3.69
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine (CID 2896474) is 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2C)C(C)C1.
What is the InChIKey of 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine?
The InChIKey is ZTTSPDVPZLUNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S2/c1-13-4-6-16(20)10-18(13)28(24,25)22-8-9-23(15(3)12-22)29(26,27)19-11-17(21)7-5-14(19)2/h4-7,10-11,15H,8-9,12H2,1-3H3.
What are the key properties of 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine?
1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine has a molecular weight of 477.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(5-chloro-2-methylphenyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 2896474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).