1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine

C15H16F2N2O3S — CID 176668113

IUPAC1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc2c(OC(F)F)cccc12)N1CCNCC1
InChIInChI=1S/C15H16F2N2O3S/c16-15(17)22-13-5-1-4-12-11(13)3-2-6-14(12)23(20,21)19-9-7-18-8-10-19/h1-6,15,18H,7-10H2
InChIKeyBDXCADGRFQGDFY-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.04
Rot. Bonds4

About 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine

1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine (PubChem CID 176668113) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine
PubChem CID176668113
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc2c(OC(F)F)cccc12)N1CCNCC1
InChIInChI=1S/C15H16F2N2O3S/c16-15(17)22-13-5-1-4-12-11(13)3-2-6-14(12)23(20,21)19-9-7-18-8-10-19/h1-6,15,18H,7-10H2
InChIKeyBDXCADGRFQGDFY-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
1-(5-methylnaphthalen-1-yl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 158195809
1-(2-propan-2-yloxyphenyl)sulfonylpiperazine
CID 141221237
1-chloro-5-piperazin-1-ylsulfonylisoquinoline
CID 22393159
[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 166230977
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-1,4-diazepane
CID 120999337
1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
CID 54106854
8-piperazin-1-ylsulfonylisoquinoline
CID 86157701
1-(2-phenylmethoxyphenyl)sulfonylpiperazine
CID 70053315
1-(4-propan-2-yloxynaphthalen-1-yl)sulfonylazepane
CID 53384704

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine?
The IUPAC name of 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine (CID 176668113) is 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine.
What is the SMILES notation for 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine?
The canonical SMILES for 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine is O=S(=O)(c1cccc2c(OC(F)F)cccc12)N1CCNCC1.
What is the InChIKey of 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine?
The InChIKey is BDXCADGRFQGDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c16-15(17)22-13-5-1-4-12-11(13)3-2-6-14(12)23(20,21)19-9-7-18-8-10-19/h1-6,15,18H,7-10H2.
What are the key properties of 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine?
1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine has a molecular weight of 342.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine is sourced from PubChem (CID 176668113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).