1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine

C19H22F2N2O2S — CID 140539824

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C19H22F2N2O2S/c20-19(21)12-15(13-19)14-22-8-10-23(11-9-22)26(24,25)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,15H,8-14H2
InChIKeyNZVFWPHIXNXPCG-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.19
Rot. Bonds4

About 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine

1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine (PubChem CID 140539824) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine
PubChem CID140539824
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C19H22F2N2O2S/c20-19(21)12-15(13-19)14-22-8-10-23(11-9-22)26(24,25)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,15H,8-14H2
InChIKeyNZVFWPHIXNXPCG-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine (CID 140539824) is 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine is O=S(=O)(c1cccc2ccccc12)N1CCN(CC2CC(F)(F)C2)CC1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine?
The InChIKey is NZVFWPHIXNXPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c20-19(21)12-15(13-19)14-22-8-10-23(11-9-22)26(24,25)18-7-3-5-16-4-1-2-6-17(16)18/h1-7,15H,8-14H2.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine?
1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine has a molecular weight of 380.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-4-naphthalen-1-ylsulfonylpiperazine is sourced from PubChem (CID 140539824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).