1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine

C20H26F2N2O2S — CID 22202137

IUPAC1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C20H26F2N2O2S/c21-17-1-2-19(18(22)12-17)27(25,26)24-5-3-23(4-6-24)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20H,3-11H2
InChIKeyWOYZKVPOKAEAHJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine

1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine (PubChem CID 22202137) has the molecular formula C20H26F2N2O2S and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine
PubChem CID22202137
Molecular FormulaC20H26F2N2O2S
Molecular Weight396.50 g/mol
Exact Mass396.17
IUPAC Name1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C20H26F2N2O2S/c21-17-1-2-19(18(22)12-17)27(25,26)24-5-3-23(4-6-24)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20H,3-11H2
InChIKeyWOYZKVPOKAEAHJ-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-adamantyl-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55388020
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 167882186
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(2,4-difluorophenyl)sulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 134017145
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine (CID 22202137) is 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1F)N1CCN(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine?
The InChIKey is WOYZKVPOKAEAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2S/c21-17-1-2-19(18(22)12-17)27(25,26)24-5-3-23(4-6-24)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20H,3-11H2.
What are the key properties of 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine?
1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine has a molecular weight of 396.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 22202137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).