[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C20H18F2N4O3S — CID 17445023

IUPAC[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H18F2N4O3S/c21-18-7-6-17(14-19(18)22)30(28,29)25-12-10-24(11-13-25)20(27)15-2-4-16(5-3-15)26-9-1-8-23-26/h1-9,14H,10-13H2
InChIKeyIDIVZRZTJOJIPM-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.30
Rot. Bonds4

About [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 17445023) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID17445023
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H18F2N4O3S/c21-18-7-6-17(14-19(18)22)30(28,29)25-12-10-24(11-13-25)20(27)15-2-4-16(5-3-15)26-9-1-8-23-26/h1-9,14H,10-13H2
InChIKeyIDIVZRZTJOJIPM-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-(3-(1H-pyrazol-1-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625946
Smurf1-IN-A01
CID 17555704
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
N'-(benzenesulfonyl)-2-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298537
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298542
N'-(benzenesulfonyl)-3-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298571
N'-(2-fluorophenyl)sulfonyl-3-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298585
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
CID 135298591
N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide
CID 135298595
N'-(benzenesulfonyl)-3-fluoro-5-(3-methylpyrazol-1-yl)benzohydrazide
CID 135298598

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 17445023) is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is IDIVZRZTJOJIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c21-18-7-6-17(14-19(18)22)30(28,29)25-12-10-24(11-13-25)20(27)15-2-4-16(5-3-15)26-9-1-8-23-26/h1-9,14H,10-13H2.
What are the key properties of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[4-(3,4-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-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 17445023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).