1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine

C14H15ClF2N4O2S — CID 47074954

IUPAC1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(Cn2cc(Cl)cn2)CC1
InChIInChI=1S/C14H15ClF2N4O2S/c15-11-8-18-20(9-11)10-19-4-6-21(7-5-19)24(22,23)14-12(16)2-1-3-13(14)17/h1-3,8-9H,4-7,10H2
InChIKeyFKJBWXZFLZVMKQ-UHFFFAOYSA-N
MW376.82 g/mol
LogP1.78
Rot. Bonds4

About 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine

1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine (PubChem CID 47074954) has the molecular formula C14H15ClF2N4O2S and a molecular weight of 376.82 g/mol. Its IUPAC name is 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine
PubChem CID47074954
Molecular FormulaC14H15ClF2N4O2S
Molecular Weight376.82 g/mol
Exact Mass376.06
IUPAC Name1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(Cn2cc(Cl)cn2)CC1
InChIInChI=1S/C14H15ClF2N4O2S/c15-11-8-18-20(9-11)10-19-4-6-21(7-5-19)24(22,23)14-12(16)2-1-3-13(14)17/h1-3,8-9H,4-7,10H2
InChIKeyFKJBWXZFLZVMKQ-UHFFFAOYSA-N
XLogP1.78
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine (CID 47074954) is 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1c(F)cccc1F)N1CCN(Cn2cc(Cl)cn2)CC1.
What is the InChIKey of 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine?
The InChIKey is FKJBWXZFLZVMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4O2S/c15-11-8-18-20(9-11)10-19-4-6-21(7-5-19)24(22,23)14-12(16)2-1-3-13(14)17/h1-3,8-9H,4-7,10H2.
What are the key properties of 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine?
1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine has a molecular weight of 376.82 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloropyrazol-1-yl)methyl]-4-(2,6-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 47074954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).