cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

C14H16Cl2N2O3S — CID 7921574

IUPACcyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3S/c15-11-3-4-12(16)13(9-11)22(20,21)18-7-5-17(6-8-18)14(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyNKGQEURLMKSCFY-UHFFFAOYSA-N
MW363.27 g/mol
LogP2.24
Rot. Bonds3

About cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone

cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 7921574) has the molecular formula C14H16Cl2N2O3S and a molecular weight of 363.27 g/mol. Its IUPAC name is cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID7921574
Molecular FormulaC14H16Cl2N2O3S
Molecular Weight363.27 g/mol
Exact Mass362.03
IUPAC Namecyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3S/c15-11-3-4-12(16)13(9-11)22(20,21)18-7-5-17(6-8-18)14(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2
InChIKeyNKGQEURLMKSCFY-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-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 7921574) is cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is NKGQEURLMKSCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3S/c15-11-3-4-12(16)13(9-11)22(20,21)18-7-5-17(6-8-18)14(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of cyclopropyl-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone?
cyclopropyl-[4-(2,5-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-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 7921574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).