5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide

C21H21ClN2O5S — CID 24564244

IUPAC5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C21H21ClN2O5S/c1-3-24(4-2)30(27,28)14-9-10-18(25)17(13-14)23-21(26)20-12-11-19(29-20)15-7-5-6-8-16(15)22/h5-13,25H,3-4H2,1-2H3,(H,23,26)
InChIKeyNVGKIHAWPUGURC-UHFFFAOYSA-N
MW448.93 g/mol
LogP4.59
Rot. Bonds7

About 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide (PubChem CID 24564244) has the molecular formula C21H21ClN2O5S and a molecular weight of 448.93 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide
PubChem CID24564244
Molecular FormulaC21H21ClN2O5S
Molecular Weight448.93 g/mol
Exact Mass448.09
IUPAC Name5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C21H21ClN2O5S/c1-3-24(4-2)30(27,28)14-9-10-18(25)17(13-14)23-21(26)20-12-11-19(29-20)15-7-5-6-8-16(15)22/h5-13,25H,3-4H2,1-2H3,(H,23,26)
InChIKeyNVGKIHAWPUGURC-UHFFFAOYSA-N
XLogP4.59
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
5-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 9077694
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
CID 55464247
5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
CID 26520481
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
CID 55381133

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide (CID 24564244) is 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide?
The InChIKey is NVGKIHAWPUGURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S/c1-3-24(4-2)30(27,28)14-9-10-18(25)17(13-14)23-21(26)20-12-11-19(29-20)15-7-5-6-8-16(15)22/h5-13,25H,3-4H2,1-2H3,(H,23,26).
What are the key properties of 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 24564244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).