1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine

C13H15ClN4O2S — CID 60915587

IUPAC1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN4O2S/c14-11-1-3-12(4-2-11)17-5-7-18(8-6-17)21(19,20)13-9-15-16-10-13/h1-4,9-10H,5-8H2,(H,15,16)
InChIKeyXZMNYZGGAGMPKA-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine

1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine (PubChem CID 60915587) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
PubChem CID60915587
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN4O2S/c14-11-1-3-12(4-2-11)17-5-7-18(8-6-17)21(19,20)13-9-15-16-10-13/h1-4,9-10H,5-8H2,(H,15,16)
InChIKeyXZMNYZGGAGMPKA-UHFFFAOYSA-N
XLogP1.57
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60916370
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47268244
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
1-(4-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1178572
5-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1H-pyridazin-6-one
CID 26436355

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine (CID 60915587) is 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine is O=S(=O)(c1cn[nH]c1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The InChIKey is XZMNYZGGAGMPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c14-11-1-3-12(4-2-11)17-5-7-18(8-6-17)21(19,20)13-9-15-16-10-13/h1-4,9-10H,5-8H2,(H,15,16).
What are the key properties of 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine has a molecular weight of 326.81 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 60915587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).