1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

C15H19ClN4O2S — CID 6468734

IUPAC1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN4O2S/c1-12-15(11-18(2)17-12)23(21,22)20-8-6-19(7-9-20)14-5-3-4-13(16)10-14/h3-5,10-11H,6-9H2,1-2H3
InChIKeyPNOCSMFFFFOHHC-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.89
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 6468734) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID6468734
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClN4O2S/c1-12-15(11-18(2)17-12)23(21,22)20-8-6-19(7-9-20)14-5-3-4-13(16)10-14/h3-5,10-11H,6-9H2,1-2H3
InChIKeyPNOCSMFFFFOHHC-UHFFFAOYSA-N
XLogP1.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 6468734) is 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is PNOCSMFFFFOHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-12-15(11-18(2)17-12)23(21,22)20-8-6-19(7-9-20)14-5-3-4-13(16)10-14/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 354.86 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 6468734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).