[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone

C16H16ClN3O3S — CID 1147866

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O3S/c17-14-3-5-15(6-4-14)24(22,23)20-10-8-19(9-11-20)16(21)13-2-1-7-18-12-13/h1-7,12H,8-11H2
InChIKeyTUPJAZCSHKXOED-UHFFFAOYSA-N
MW365.84 g/mol
LogP1.88
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 1147866) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID1147866
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O3S/c17-14-3-5-15(6-4-14)24(22,23)20-10-8-19(9-11-20)16(21)13-2-1-7-18-12-13/h1-7,12H,8-11H2
InChIKeyTUPJAZCSHKXOED-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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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 1147866) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is TUPJAZCSHKXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-14-3-5-15(6-4-14)24(22,23)20-10-8-19(9-11-20)16(21)13-2-1-7-18-12-13/h1-7,12H,8-11H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-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-(4-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 1147866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).