1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone

C17H17Cl2N3O3S — CID 24945555

IUPAC1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-9-14(19)11-16(10-13)26(24,25)22-7-5-21(6-8-22)17(23)12-15-3-1-2-4-20-15/h1-4,9-11H,5-8,12H2
InChIKeyRLDFIJKVRGNHNN-UHFFFAOYSA-N
MW414.31 g/mol
LogP2.46
Rot. Bonds4

About 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 24945555) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID24945555
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H17Cl2N3O3S/c18-13-9-14(19)11-16(10-13)26(24,25)22-7-5-21(6-8-22)17(23)12-15-3-1-2-4-20-15/h1-4,9-11H,5-8,12H2
InChIKeyRLDFIJKVRGNHNN-UHFFFAOYSA-N
XLogP2.46
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone (CID 24945555) is 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is RLDFIJKVRGNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c18-13-9-14(19)11-16(10-13)26(24,25)22-7-5-21(6-8-22)17(23)12-15-3-1-2-4-20-15/h1-4,9-11H,5-8,12H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 414.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 24945555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).