[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C20H18F2N4O3S — CID 31927908

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H18F2N4O3S/c21-17-3-1-4-18(22)19(17)30(28,29)25-13-11-24(12-14-25)20(27)15-5-7-16(8-6-15)26-10-2-9-23-26/h1-10H,11-14H2
InChIKeySCXQTYZTIICIKT-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.30
Rot. Bonds4

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 31927908) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID31927908
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H18F2N4O3S/c21-17-3-1-4-18(22)19(17)30(28,29)25-13-11-24(12-14-25)20(27)15-5-7-16(8-6-15)26-10-2-9-23-26/h1-10H,11-14H2
InChIKeySCXQTYZTIICIKT-UHFFFAOYSA-N
XLogP2.30
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 17445214
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 17483441
6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 166185922
(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 34518015
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 43059571
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
CID 16581811
(3-bromo-5-fluorophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55704253
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 31927908) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is SCXQTYZTIICIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c21-17-3-1-4-18(22)19(17)30(28,29)25-13-11-24(12-14-25)20(27)15-5-7-16(8-6-15)26-10-2-9-23-26/h1-10H,11-14H2.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 432.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 31927908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).