N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide

C17H19ClN4O6S — CID 41349840

IUPACN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H19ClN4O6S/c18-13-3-1-2-4-14(13)20-8-10-21(11-9-20)29(26,27)12-7-19-17(23)15-5-6-16(28-15)22(24)25/h1-6H,7-12H2,(H,19,23)
InChIKeyWXQIHHJPLHDHDS-UHFFFAOYSA-N
MW442.88 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide (PubChem CID 41349840) has the molecular formula C17H19ClN4O6S and a molecular weight of 442.88 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
PubChem CID41349840
Molecular FormulaC17H19ClN4O6S
Molecular Weight442.88 g/mol
Exact Mass442.07
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H19ClN4O6S/c18-13-3-1-2-4-14(13)20-8-10-21(11-9-20)29(26,27)12-7-19-17(23)15-5-6-16(28-15)22(24)25/h1-6H,7-12H2,(H,19,23)
InChIKeyWXQIHHJPLHDHDS-UHFFFAOYSA-N
XLogP1.72
TPSA126.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
CID 41349699
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
CID 61129714
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitrobenzamide
CID 16825826
5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 22578905
3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 41349722
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
CID 44961271
(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide
CID 41349770
N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-5-nitrofuran-2-carboxamide
CID 4273182
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
CID 952498
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
CID 16825869

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide (CID 41349840) is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide?
The InChIKey is WXQIHHJPLHDHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O6S/c18-13-3-1-2-4-14(13)20-8-10-21(11-9-20)29(26,27)12-7-19-17(23)15-5-6-16(28-15)22(24)25/h1-6H,7-12H2,(H,19,23).
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide?
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 442.88 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 41349840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).