2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide

C16H23BrClN3O3S — CID 55430863

IUPAC2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H23BrClN3O3S/c1-3-6-19-16(22)12(2)20-7-9-21(10-8-20)25(23,24)15-5-4-13(17)11-14(15)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,22)
InChIKeySYLQTOLGWOKZDZ-UHFFFAOYSA-N
MW452.80 g/mol
LogP2.32
Rot. Bonds6

About 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide

2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (PubChem CID 55430863) has the molecular formula C16H23BrClN3O3S and a molecular weight of 452.80 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
PubChem CID55430863
Molecular FormulaC16H23BrClN3O3S
Molecular Weight452.80 g/mol
Exact Mass451.03
IUPAC Name2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H23BrClN3O3S/c1-3-6-19-16(22)12(2)20-7-9-21(10-8-20)25(23,24)15-5-4-13(17)11-14(15)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,22)
InChIKeySYLQTOLGWOKZDZ-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (CID 55430863) is 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The InChIKey is SYLQTOLGWOKZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN3O3S/c1-3-6-19-16(22)12(2)20-7-9-21(10-8-20)25(23,24)15-5-4-13(17)11-14(15)18/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide has a molecular weight of 452.80 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 55430863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).