N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide

C16H19Cl2N3O4S — CID 55702024

IUPACN-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1
InChIInChI=1S/C16H19Cl2N3O4S/c17-12-3-4-13(18)14(9-12)26(24,25)21-7-5-20(6-8-21)15(22)10-19-16(23)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)
InChIKeyNEYGGJNTLPIWKU-UHFFFAOYSA-N
MW420.32 g/mol
LogP1.35
Rot. Bonds5

About N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 55702024) has the molecular formula C16H19Cl2N3O4S and a molecular weight of 420.32 g/mol. Its IUPAC name is N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID55702024
Molecular FormulaC16H19Cl2N3O4S
Molecular Weight420.32 g/mol
Exact Mass419.05
IUPAC NameN-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1
InChIInChI=1S/C16H19Cl2N3O4S/c17-12-3-4-13(18)14(9-12)26(24,25)21-7-5-20(6-8-21)15(22)10-19-16(23)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23)
InChIKeyNEYGGJNTLPIWKU-UHFFFAOYSA-N
XLogP1.35
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78803662
1-(2,5-dichlorophenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 3157088
2-cyclohexyl-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 38168445
N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 26870754
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
CID 55363276
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55634596
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817241
1-(2,5-dichlorophenyl)sulfonyl-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 55721464

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide (CID 55702024) is N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide is O=C(NCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CC1.
What is the InChIKey of N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is NEYGGJNTLPIWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O4S/c17-12-3-4-13(18)14(9-12)26(24,25)21-7-5-20(6-8-21)15(22)10-19-16(23)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,19,23).
What are the key properties of N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 420.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 55702024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).