(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine

C19H22Cl2N2O4S2 — CID 41301352

IUPAC(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
SMILESC[C@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S2/c1-15-12-22(28(24,25)13-16-6-2-4-8-18(16)20)10-11-23(15)29(26,27)14-17-7-3-5-9-19(17)21/h2-9,15H,10-14H2,1H3/t15-/m0/s1
InChIKeyXNKDXGUNLOCXEA-HNNXBMFYSA-N
MW477.44 g/mol
LogP3.36
Rot. Bonds6

About (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine

(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine (PubChem CID 41301352) has the molecular formula C19H22Cl2N2O4S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
PubChem CID41301352
Molecular FormulaC19H22Cl2N2O4S2
Molecular Weight477.44 g/mol
Exact Mass476.04
IUPAC Name(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
SMILESC[C@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CCN1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H22Cl2N2O4S2/c1-15-12-22(28(24,25)13-16-6-2-4-8-18(16)20)10-11-23(15)29(26,27)14-17-7-3-5-9-19(17)21/h2-9,15H,10-14H2,1H3/t15-/m0/s1
InChIKeyXNKDXGUNLOCXEA-HNNXBMFYSA-N
XLogP3.36
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine
CID 110658075
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326

Frequently Asked Questions

What is the IUPAC name of (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine?
The IUPAC name of (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine (CID 41301352) is (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine is C[C@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CCN1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine?
The InChIKey is XNKDXGUNLOCXEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S2/c1-15-12-22(28(24,25)13-16-6-2-4-8-18(16)20)10-11-23(15)29(26,27)14-17-7-3-5-9-19(17)21/h2-9,15H,10-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine?
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine has a molecular weight of 477.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine is sourced from PubChem (CID 41301352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).