cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

C14H16Cl2N2O3S — CID 24945064

IUPACcyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O3S/c15-11-7-12(16)9-13(8-11)22(20,21)18-5-3-17(4-6-18)14(19)10-1-2-10/h7-10H,1-6H2
InChIKeyAYYDIDDDTKUDTB-UHFFFAOYSA-N
MW363.27 g/mol
LogP2.24
Rot. Bonds3

About cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24945064) has the molecular formula C14H16Cl2N2O3S and a molecular weight of 363.27 g/mol. Its IUPAC name is cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID24945064
Molecular FormulaC14H16Cl2N2O3S
Molecular Weight363.27 g/mol
Exact Mass362.03
IUPAC Namecyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O3S/c15-11-7-12(16)9-13(8-11)22(20,21)18-5-3-17(4-6-18)14(19)10-1-2-10/h7-10H,1-6H2
InChIKeyAYYDIDDDTKUDTB-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 24945064) is cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CC1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AYYDIDDDTKUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3S/c15-11-7-12(16)9-13(8-11)22(20,21)18-5-3-17(4-6-18)14(19)10-1-2-10/h7-10H,1-6H2.
What are the key properties of cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 363.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24945064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).