[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone

C16H16ClN3O3S — CID 26757131

IUPAC[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H16ClN3O3S/c17-14-3-1-2-4-15(14)24(22,23)20-11-9-19(10-12-20)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2
InChIKeyLPMLBXOQMDQNET-UHFFFAOYSA-N
MW365.84 g/mol
LogP1.88
Rot. Bonds3

About [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 26757131) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID26757131
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H16ClN3O3S/c17-14-3-1-2-4-15(14)24(22,23)20-11-9-19(10-12-20)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2
InChIKeyLPMLBXOQMDQNET-UHFFFAOYSA-N
XLogP1.88
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 55757296
1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
CID 31199964
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55507539
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 32573936
2-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822428
(2-chloro-4-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38120168
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 9239713
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone (CID 26757131) is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is LPMLBXOQMDQNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-14-3-1-2-4-15(14)24(22,23)20-11-9-19(10-12-20)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2.
What are the key properties of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 365.84 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 26757131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).