1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine

C16H20Cl2N4O2S — CID 55907011

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N4O2S/c1-12-15(16(18)20(2)19-12)25(23,24)22-8-6-21(7-9-22)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11H2,1-2H3
InChIKeyNHWSFBITYKSYEF-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.54
Rot. Bonds4

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine (PubChem CID 55907011) has the molecular formula C16H20Cl2N4O2S and a molecular weight of 403.34 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine
PubChem CID55907011
Molecular FormulaC16H20Cl2N4O2S
Molecular Weight403.34 g/mol
Exact Mass402.07
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N4O2S/c1-12-15(16(18)20(2)19-12)25(23,24)22-8-6-21(7-9-22)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11H2,1-2H3
InChIKeyNHWSFBITYKSYEF-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

Analyze 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55871400
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936
1-(3-chlorophenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331809
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazine
CID 98412848
1-[(3-chlorophenyl)methyl]-4-(4-methoxy-2-methylphenyl)sulfonylpiperazine
CID 110399108
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 17022690
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1343020

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine (CID 55907011) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine?
The InChIKey is NHWSFBITYKSYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O2S/c1-12-15(16(18)20(2)19-12)25(23,24)22-8-6-21(7-9-22)11-13-4-3-5-14(17)10-13/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine 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-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 55907011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).