1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine

C16H20Cl2N4O2S — CID 22208172

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cnn1C
InChIInChI=1S/C16H20Cl2N4O2S/c1-12-16(10-19-20(12)2)25(23,24)22-8-6-21(7-9-22)11-13-14(17)4-3-5-15(13)18/h3-5,10H,6-9,11H2,1-2H3
InChIKeyLGETWCOLBJBUJG-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.54
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine

1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 22208172) has the molecular formula C16H20Cl2N4O2S and a molecular weight of 403.34 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID22208172
Molecular FormulaC16H20Cl2N4O2S
Molecular Weight403.34 g/mol
Exact Mass402.07
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cnn1C
InChIInChI=1S/C16H20Cl2N4O2S/c1-12-16(10-19-20(12)2)25(23,24)22-8-6-21(7-9-22)11-13-14(17)4-3-5-15(13)18/h3-5,10H,6-9,11H2,1-2H3
InChIKeyLGETWCOLBJBUJG-UHFFFAOYSA-N
XLogP2.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-[(2-chloro-6-fluorophenyl)methyl]-4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazine
CID 19614577
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
CID 47147117
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22202990
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 22208056
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 17022816
1-benzyl-4-(2,3-dichlorophenyl)sulfonylpiperazine;hydrochloride
CID 2729556

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 22208172) is 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine is Cc1c(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cnn1C.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is LGETWCOLBJBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O2S/c1-12-16(10-19-20(12)2)25(23,24)22-8-6-21(7-9-22)11-13-14(17)4-3-5-15(13)18/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 403.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 22208172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).