[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate

C24H22ClN3O8S — CID 4830643

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C24H22ClN3O8S/c25-16-3-5-17(6-4-16)26-37(33,34)18-7-8-20(29)19(14-18)24(32)36-15-22(30)27-9-11-28(12-10-27)23(31)21-2-1-13-35-21/h1-8,13-14,26,29H,9-12,15H2
InChIKeyQYHCPTYSUXXVHP-UHFFFAOYSA-N
MW547.97 g/mol
LogP2.58
Rot. Bonds7

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate (PubChem CID 4830643) has the molecular formula C24H22ClN3O8S and a molecular weight of 547.97 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
PubChem CID4830643
Molecular FormulaC24H22ClN3O8S
Molecular Weight547.97 g/mol
Exact Mass547.08
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C24H22ClN3O8S/c25-16-3-5-17(6-4-16)26-37(33,34)18-7-8-20(29)19(14-18)24(32)36-15-22(30)27-9-11-28(12-10-27)23(31)21-2-1-13-35-21/h1-8,13-14,26,29H,9-12,15H2
InChIKeyQYHCPTYSUXXVHP-UHFFFAOYSA-N
XLogP2.58
TPSA146.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.97
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25041601
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519893
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2391518
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527643
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
[2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25045245
1,3-benzothiazol-2-ylmethyl 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 25040897
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504418
[2-(azocan-1-yl)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18202293
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 23798235

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate (CID 4830643) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
The InChIKey is QYHCPTYSUXXVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O8S/c25-16-3-5-17(6-4-16)26-37(33,34)18-7-8-20(29)19(14-18)24(32)36-15-22(30)27-9-11-28(12-10-27)23(31)21-2-1-13-35-21/h1-8,13-14,26,29H,9-12,15H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate has a molecular weight of 547.97 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 5-[(4-chlorophenyl)sulfamoyl]-2-hydroxybenzoate is sourced from PubChem (CID 4830643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).