2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine

C18H23FN4O3S — CID 120764615

IUPAC2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H23FN4O3S/c19-15-3-1-2-14(10-15)18-12-20-6-7-23(18)27(24,25)17-11-21-22(13-17)16-4-8-26-9-5-16/h1-3,10-11,13,16,18,20H,4-9,12H2
InChIKeyOPSHIFZYUWRVLR-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.71
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine

2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine (PubChem CID 120764615) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine
PubChem CID120764615
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H23FN4O3S/c19-15-3-1-2-14(10-15)18-12-20-6-7-23(18)27(24,25)17-11-21-22(13-17)16-4-8-26-9-5-16/h1-3,10-11,13,16,18,20H,4-9,12H2
InChIKeyOPSHIFZYUWRVLR-UHFFFAOYSA-N
XLogP1.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
US9670210, Example 114 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302811
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
1-Ethyl-3-methyl-N-[2-(morpholin-4-YL)-2-phenylethyl]pyrazole-4-sulfonamide
CID 19614785
1-ethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-1H-pyrazole-4-sulfonamide
CID 56912861
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71895738
N-(2-amino-2-phenylethyl)-1-methyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 71757160
N-benzyl-9-(1-ethylpyrazol-4-yl)sulfonyl-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919095
1-ethyl-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 16673861
N-(2-Amino-2-phenylethyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 43605664
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 53524879

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine (CID 120764615) is 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine is O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine?
The InChIKey is OPSHIFZYUWRVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c19-15-3-1-2-14(10-15)18-12-20-6-7-23(18)27(24,25)17-11-21-22(13-17)16-4-8-26-9-5-16/h1-3,10-11,13,16,18,20H,4-9,12H2.
What are the key properties of 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine?
2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine has a molecular weight of 394.47 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylpiperazine is sourced from PubChem (CID 120764615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).