1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine

C16H16F3N3O3S — CID 120876710

IUPAC1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H16F3N3O3S/c17-13-8-12(3-4-15(13)25-16(18)19)26(23,24)22-7-6-21-10-14(22)11-2-1-5-20-9-11/h1-5,8-9,14,16,21H,6-7,10H2
InChIKeyDMEGXTIMWZFWQV-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.16
Rot. Bonds5

About 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine

1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120876710) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120876710
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H16F3N3O3S/c17-13-8-12(3-4-15(13)25-16(18)19)26(23,24)22-7-6-21-10-14(22)11-2-1-5-20-9-11/h1-5,8-9,14,16,21H,6-7,10H2
InChIKeyDMEGXTIMWZFWQV-UHFFFAOYSA-N
XLogP2.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
methyl 2-fluoro-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120764245
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120764062
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine (CID 120876710) is 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine is O=S(=O)(c1ccc(OC(F)F)c(F)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is DMEGXTIMWZFWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c17-13-8-12(3-4-15(13)25-16(18)19)26(23,24)22-7-6-21-10-14(22)11-2-1-5-20-9-11/h1-5,8-9,14,16,21H,6-7,10H2.
What are the key properties of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine?
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 387.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120876710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).