N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide

C17H25ClN4O4S — CID 2932349

IUPACN-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN4O4S/c1-13(2)20-17(24)16(23)19-7-8-21-9-11-22(12-10-21)27(25,26)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMSQDHICBROJKJJ-UHFFFAOYSA-N
MW416.93 g/mol
LogP0.29
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide

N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide (PubChem CID 2932349) has the molecular formula C17H25ClN4O4S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide
PubChem CID2932349
Molecular FormulaC17H25ClN4O4S
Molecular Weight416.93 g/mol
Exact Mass416.13
IUPAC NameN-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN4O4S/c1-13(2)20-17(24)16(23)19-7-8-21-9-11-22(12-10-21)27(25,26)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMSQDHICBROJKJJ-UHFFFAOYSA-N
XLogP0.29
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide (CID 2932349) is N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The InChIKey is MSQDHICBROJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O4S/c1-13(2)20-17(24)16(23)19-7-8-21-9-11-22(12-10-21)27(25,26)15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide has a molecular weight of 416.93 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 2932349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).