1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine

C17H22Cl2N4O2S — CID 22208359

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
SMILESCCn1ncc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C
InChIInChI=1S/C17H22Cl2N4O2S/c1-3-23-13(2)14(11-20-23)12-21-6-8-22(9-7-21)26(24,25)17-10-15(18)4-5-16(17)19/h4-5,10-11H,3,6-9,12H2,1-2H3
InChIKeyGXBCYLQHSNKFAS-UHFFFAOYSA-N
MW417.36 g/mol
LogP3.02
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine

1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 22208359) has the molecular formula C17H22Cl2N4O2S and a molecular weight of 417.36 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
PubChem CID22208359
Molecular FormulaC17H22Cl2N4O2S
Molecular Weight417.36 g/mol
Exact Mass416.08
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
SMILESCCn1ncc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C
InChIInChI=1S/C17H22Cl2N4O2S/c1-3-23-13(2)14(11-20-23)12-21-6-8-22(9-7-21)26(24,25)17-10-15(18)4-5-16(17)19/h4-5,10-11H,3,6-9,12H2,1-2H3
InChIKeyGXBCYLQHSNKFAS-UHFFFAOYSA-N
XLogP3.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208347
4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 4794683
4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 22208364
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
CID 19582940
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 17022816
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 22208056
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-(2,5-difluorophenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331887
5-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167576

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine (CID 22208359) is 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine is CCn1ncc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is GXBCYLQHSNKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O2S/c1-3-23-13(2)14(11-20-23)12-21-6-8-22(9-7-21)26(24,25)17-10-15(18)4-5-16(17)19/h4-5,10-11H,3,6-9,12H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 417.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 22208359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).