ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate

C21H25ClN4O5S — CID 55636719

IUPACethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C21H25ClN4O5S/c1-2-31-21(28)16-7-8-19(23-15-16)25-11-13-26(14-12-25)20(27)9-10-24-32(29,30)18-6-4-3-5-17(18)22/h3-8,15,24H,2,9-14H2,1H3
InChIKeyMMIPWRNYMZYLEM-UHFFFAOYSA-N
MW480.97 g/mol
LogP1.93
Rot. Bonds8

About ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 55636719) has the molecular formula C21H25ClN4O5S and a molecular weight of 480.97 g/mol. Its IUPAC name is ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID55636719
Molecular FormulaC21H25ClN4O5S
Molecular Weight480.97 g/mol
Exact Mass480.12
IUPAC Nameethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C21H25ClN4O5S/c1-2-31-21(28)16-7-8-19(23-15-16)25-11-13-26(14-12-25)20(27)9-10-24-32(29,30)18-6-4-3-5-17(18)22/h3-8,15,24H,2,9-14H2,1H3
InChIKeyMMIPWRNYMZYLEM-UHFFFAOYSA-N
XLogP1.93
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
3-[(2-chlorophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126632
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
ethyl 6-[4-[2-(2-methylbutanoylamino)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55940492
ethyl 6-[4-[2-(pyridin-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55940489
ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783852
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
ethyl 6-(4-benzoyl-1,4-diazepan-1-yl)pyridine-3-carboxylate
CID 36730820
2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55846108
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate (CID 55636719) is ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC2)nc1.
What is the InChIKey of ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is MMIPWRNYMZYLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O5S/c1-2-31-21(28)16-7-8-19(23-15-16)25-11-13-26(14-12-25)20(27)9-10-24-32(29,30)18-6-4-3-5-17(18)22/h3-8,15,24H,2,9-14H2,1H3.
What are the key properties of ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 480.97 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 55636719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).