1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine

C16H17ClFN3O2S — CID 46556545

IUPAC1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H17ClFN3O2S/c17-15-11-13(18)4-5-16(15)24(22,23)21-9-7-20(8-10-21)12-14-3-1-2-6-19-14/h1-6,11H,7-10,12H2
InChIKeyVQOJFEVDFFGEFL-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine

1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 46556545) has the molecular formula C16H17ClFN3O2S and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
PubChem CID46556545
Molecular FormulaC16H17ClFN3O2S
Molecular Weight369.85 g/mol
Exact Mass369.07
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H17ClFN3O2S/c17-15-11-13(18)4-5-16(15)24(22,23)21-9-7-20(8-10-21)12-14-3-1-2-6-19-14/h1-6,11H,7-10,12H2
InChIKeyVQOJFEVDFFGEFL-UHFFFAOYSA-N
XLogP2.38
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46644063
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
1-[(4-tert-butylphenyl)methyl]-4-(2-chloro-4-fluorophenyl)sulfonylpiperazine
CID 3766519
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 55625872
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571628
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine (CID 46556545) is 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine is O=S(=O)(c1ccc(F)cc1Cl)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is VQOJFEVDFFGEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2S/c17-15-11-13(18)4-5-16(15)24(22,23)21-9-7-20(8-10-21)12-14-3-1-2-6-19-14/h1-6,11H,7-10,12H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 369.85 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 46556545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).