1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine

C17H23FN2O2S — CID 6942192

IUPAC1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C17H23FN2O2S/c18-15-3-5-16(6-4-15)23(21,22)20-9-7-19(8-10-20)17-12-13-1-2-14(17)11-13/h3-6,13-14,17H,1-2,7-12H2/t13-,14-,17+/m1/s1
InChIKeyCWGZRJOVTJJOJA-CPUCHLNUSA-N
MW338.45 g/mol
LogP2.32
Rot. Bonds3

About 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine

1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 6942192) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID6942192
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C17H23FN2O2S/c18-15-3-5-16(6-4-15)23(21,22)20-9-7-19(8-10-20)17-12-13-1-2-14(17)11-13/h3-6,13-14,17H,1-2,7-12H2/t13-,14-,17+/m1/s1
InChIKeyCWGZRJOVTJJOJA-CPUCHLNUSA-N
XLogP2.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 11878975
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 7108898
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 7325644
N-[4-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 11903190
1-(2-bicyclo[2.2.1]heptanyl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane
CID 25191101
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 6551053
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 6542710
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-nitrophenyl)sulfonylpiperazine
CID 2902607
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 6359787
3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]azepan-2-one
CID 42930236
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine (CID 6942192) is 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is CWGZRJOVTJJOJA-CPUCHLNUSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c18-15-3-5-16(6-4-15)23(21,22)20-9-7-19(8-10-20)17-12-13-1-2-14(17)11-13/h3-6,13-14,17H,1-2,7-12H2/t13-,14-,17+/m1/s1.
What are the key properties of 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine?
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 338.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 6942192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).