1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

C15H18Cl2N4O2S — CID 113080467

IUPAC1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N4O2S/c1-10-15(11(2)19-18-10)24(22,23)21-8-6-20(7-9-21)14-12(16)4-3-5-13(14)17/h3-5H,6-9H2,1-2H3,(H,18,19)
InChIKeyMVJBAHFSJMSUFG-UHFFFAOYSA-N
MW389.31 g/mol
LogP2.84
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine (PubChem CID 113080467) has the molecular formula C15H18Cl2N4O2S and a molecular weight of 389.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
PubChem CID113080467
Molecular FormulaC15H18Cl2N4O2S
Molecular Weight389.31 g/mol
Exact Mass388.05
IUPAC Name1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N4O2S/c1-10-15(11(2)19-18-10)24(22,23)21-8-6-20(7-9-21)14-12(16)4-3-5-13(14)17/h3-5H,6-9H2,1-2H3,(H,18,19)
InChIKeyMVJBAHFSJMSUFG-UHFFFAOYSA-N
XLogP2.84
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507151
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
4-[4-(2,6-dichlorophenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 113080468
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 46976898
4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335366
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 110398726
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline
CID 110645042
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine
CID 113077495
1-(4-bromophenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507115
1-[3-(4-chlorophenyl)propyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 110414132

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine (CID 113080467) is 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The InChIKey is MVJBAHFSJMSUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2S/c1-10-15(11(2)19-18-10)24(22,23)21-8-6-20(7-9-21)14-12(16)4-3-5-13(14)17/h3-5H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine has a molecular weight of 389.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine is sourced from PubChem (CID 113080467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).