N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

C18H24ClN5O3S — CID 78820815

IUPACN-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN5O3S/c1-13-18(14(2)22(3)21-13)28(26,27)24-10-8-23(9-11-24)12-17(25)20-16-7-5-4-6-15(16)19/h4-7H,8-12H2,1-3H3,(H,20,25)
InChIKeyPOSIXELZQPJGPZ-UHFFFAOYSA-N
MW425.94 g/mol
LogP1.64
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 78820815) has the molecular formula C18H24ClN5O3S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID78820815
Molecular FormulaC18H24ClN5O3S
Molecular Weight425.94 g/mol
Exact Mass425.13
IUPAC NameN-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN5O3S/c1-13-18(14(2)22(3)21-13)28(26,27)24-10-8-23(9-11-24)12-17(25)20-16-7-5-4-6-15(16)19/h4-7H,8-12H2,1-3H3,(H,20,25)
InChIKeyPOSIXELZQPJGPZ-UHFFFAOYSA-N
XLogP1.64
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55558830
N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
N-(2-chlorophenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 34708396
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (CID 78820815) is N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is POSIXELZQPJGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3S/c1-13-18(14(2)22(3)21-13)28(26,27)24-10-8-23(9-11-24)12-17(25)20-16-7-5-4-6-15(16)19/h4-7H,8-12H2,1-3H3,(H,20,25).
What are the key properties of N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 425.94 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 78820815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).