1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine

C16H17Cl2N3O2S — CID 17413023

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H17Cl2N3O2S/c17-13-4-5-15(18)16(11-13)24(22,23)21-9-7-20(8-10-21)12-14-3-1-2-6-19-14/h1-6,11H,7-10,12H2
InChIKeyAAQUEKRQIIIOJX-UHFFFAOYSA-N
MW386.30 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine

1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 17413023) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
PubChem CID17413023
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H17Cl2N3O2S/c17-13-4-5-15(18)16(11-13)24(22,23)21-9-7-20(8-10-21)12-14-3-1-2-6-19-14/h1-6,11H,7-10,12H2
InChIKeyAAQUEKRQIIIOJX-UHFFFAOYSA-N
XLogP2.89
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 52.89
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-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46644063
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
CID 19582940
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135877578
1-[(3-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391386
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 167759057
3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46646959

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine (CID 17413023) is 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is AAQUEKRQIIIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c17-13-4-5-15(18)16(11-13)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-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 386.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 17413023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).