1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine

C15H18Cl2N4O4S2 — CID 19684902

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cnn1C
InChIInChI=1S/C15H18Cl2N4O4S2/c1-11-15(10-18-19(11)2)27(24,25)21-7-5-20(6-8-21)26(22,23)14-9-12(16)3-4-13(14)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNVTFKIHHWJSXFA-UHFFFAOYSA-N
MW453.37 g/mol
LogP1.73
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine

1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19684902) has the molecular formula C15H18Cl2N4O4S2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19684902
Molecular FormulaC15H18Cl2N4O4S2
Molecular Weight453.37 g/mol
Exact Mass452.01
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cnn1C
InChIInChI=1S/C15H18Cl2N4O4S2/c1-11-15(10-18-19(11)2)27(24,25)21-7-5-20(6-8-21)26(22,23)14-9-12(16)3-4-13(14)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNVTFKIHHWJSXFA-UHFFFAOYSA-N
XLogP1.73
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208172
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
CID 22208359
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496684
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 17301208

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 19684902) is 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine is Cc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cnn1C.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is NVTFKIHHWJSXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O4S2/c1-11-15(10-18-19(11)2)27(24,25)21-7-5-20(6-8-21)26(22,23)14-9-12(16)3-4-13(14)17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 453.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19684902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).