1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine

C15H19ClN4O2S — CID 6465421

IUPAC1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C15H19ClN4O2S/c1-2-19-12-15(11-17-19)23(21,22)20-9-7-18(8-10-20)14-5-3-13(16)4-6-14/h3-6,11-12H,2,7-10H2,1H3
InChIKeyIMSWASQBNKEFSE-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.07
Rot. Bonds4

About 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine

1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 6465421) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID6465421
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C15H19ClN4O2S/c1-2-19-12-15(11-17-19)23(21,22)20-9-7-18(8-10-20)14-5-3-13(16)4-6-14/h3-6,11-12H,2,7-10H2,1H3
InChIKeyIMSWASQBNKEFSE-UHFFFAOYSA-N
XLogP2.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 6467959
CID 6467959
CID 6465363
CID 6465363
CID 6467892
CID 6467892
CID 1508670
CID 1508670
CID 6464253
CID 6464253
CID 6469600
CID 6469600
CID 118027523
CID 118027523
CID 6465735
CID 6465735
CID 6468378
CID 6468378
CID 6466144
CID 6466144
CID 7677840
CID 7677840
CID 72550225
CID 72550225

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine (CID 6465421) is 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is IMSWASQBNKEFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-2-19-12-15(11-17-19)23(21,22)20-9-7-18(8-10-20)14-5-3-13(16)4-6-14/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 354.86 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 6465421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).