1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine

C22H24Cl2N4O2S — CID 22208018

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H24Cl2N4O2S/c1-16-22(17(2)28(25-16)20-6-4-3-5-7-20)31(29,30)27-12-10-26(11-13-27)15-18-8-9-19(23)14-21(18)24/h3-9,14H,10-13,15H2,1-2H3
InChIKeyXRMVYZRSSHQPGV-UHFFFAOYSA-N
MW479.43 g/mol
LogP4.30
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine

1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 22208018) has the molecular formula C22H24Cl2N4O2S and a molecular weight of 479.43 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
PubChem CID22208018
Molecular FormulaC22H24Cl2N4O2S
Molecular Weight479.43 g/mol
Exact Mass478.10
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C22H24Cl2N4O2S/c1-16-22(17(2)28(25-16)20-6-4-3-5-7-20)31(29,30)27-12-10-26(11-13-27)15-18-8-9-19(23)14-21(18)24/h3-9,14H,10-13,15H2,1-2H3
InChIKeyXRMVYZRSSHQPGV-UHFFFAOYSA-N
XLogP4.30
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine
CID 53076060
5-chloro-2-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]phenol
CID 167886526
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962
4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78814869
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 19682926
1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507181
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 20934020
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 19684923
1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 17301213
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-chlorophenyl)methyl]piperazine
CID 55907011
1-[(2,4-dichlorophenyl)methyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 22207993

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine (CID 22208018) is 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is XRMVYZRSSHQPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2S/c1-16-22(17(2)28(25-16)20-6-4-3-5-7-20)31(29,30)27-12-10-26(11-13-27)15-18-8-9-19(23)14-21(18)24/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine?
1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 479.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 22208018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).