tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate

C15H20Cl2N2O4S — CID 24945062

IUPACtert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O4S/c1-15(2,3)23-14(20)18-4-6-19(7-5-18)24(21,22)13-9-11(16)8-12(17)10-13/h8-10H,4-7H2,1-3H3
InChIKeyCVHGCBLPPQFGDD-UHFFFAOYSA-N
MW395.31 g/mol
LogP3.23
Rot. Bonds2

About tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate

tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 24945062) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate
PubChem CID24945062
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC Nametert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O4S/c1-15(2,3)23-14(20)18-4-6-19(7-5-18)24(21,22)13-9-11(16)8-12(17)10-13/h8-10H,4-7H2,1-3H3
InChIKeyCVHGCBLPPQFGDD-UHFFFAOYSA-N
XLogP3.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate (CID 24945062) is tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is CVHGCBLPPQFGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-15(2,3)23-14(20)18-4-6-19(7-5-18)24(21,22)13-9-11(16)8-12(17)10-13/h8-10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate?
tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 395.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,5-dichlorophenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 24945062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).