1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine

C15H16Cl2N2O2S2 — CID 9301421

IUPAC1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H16Cl2N2O2S2/c16-12-1-4-14(5-2-12)23(20,21)19-9-7-18(8-10-19)11-13-3-6-15(17)22-13/h1-6H,7-11H2
InChIKeyJDTRXNBMLQJAMH-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine

1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine (PubChem CID 9301421) has the molecular formula C15H16Cl2N2O2S2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
PubChem CID9301421
Molecular FormulaC15H16Cl2N2O2S2
Molecular Weight391.35 g/mol
Exact Mass390.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H16Cl2N2O2S2/c16-12-1-4-14(5-2-12)23(20,21)19-9-7-18(8-10-19)11-13-3-6-15(17)22-13/h1-6H,7-11H2
InChIKeyJDTRXNBMLQJAMH-UHFFFAOYSA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902380
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 27841539
1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
CID 78792923
1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 1122511
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 1131734
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzoxazole
CID 46379731
1-(4-chlorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 17366247
(E)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(5-chlorothiophen-2-yl)prop-2-en-1-one
CID 24608160
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 30463446

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine (CID 9301421) is 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine?
The InChIKey is JDTRXNBMLQJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S2/c16-12-1-4-14(5-2-12)23(20,21)19-9-7-18(8-10-19)11-13-3-6-15(17)22-13/h1-6H,7-11H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine?
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine has a molecular weight of 391.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 9301421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).