[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate

C24H21Cl2N3O7S — CID 25041601

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21Cl2N3O7S/c25-17-4-6-18(7-5-17)27-37(33,34)21-14-16(3-8-19(21)26)24(32)36-15-22(30)28-9-11-29(12-10-28)23(31)20-2-1-13-35-20/h1-8,13-14,27H,9-12,15H2
InChIKeyIBFIMQJFCOBQHA-UHFFFAOYSA-N
MW566.42 g/mol
LogP3.53
Rot. Bonds7

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate (PubChem CID 25041601) has the molecular formula C24H21Cl2N3O7S and a molecular weight of 566.42 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate
PubChem CID25041601
Molecular FormulaC24H21Cl2N3O7S
Molecular Weight566.42 g/mol
Exact Mass565.05
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21Cl2N3O7S/c25-17-4-6-18(7-5-17)27-37(33,34)21-14-16(3-8-19(21)26)24(32)36-15-22(30)28-9-11-29(12-10-28)23(31)20-2-1-13-35-20/h1-8,13-14,27H,9-12,15H2
InChIKeyIBFIMQJFCOBQHA-UHFFFAOYSA-N
XLogP3.53
TPSA126.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 4830643
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide
CID 2650133
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527643
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943996
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504418
[(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 98419450
2-(3,4-dichloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004702
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
2-(3-chloro-4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004662
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
CID 2419646

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate (CID 25041601) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is IBFIMQJFCOBQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O7S/c25-17-4-6-18(7-5-17)27-37(33,34)21-14-16(3-8-19(21)26)24(32)36-15-22(30)28-9-11-29(12-10-28)23(31)20-2-1-13-35-20/h1-8,13-14,27H,9-12,15H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 566.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25041601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).