N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide

C20H18ClN3O6S — CID 36925060

IUPACN-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C20H18ClN3O6S/c21-13-3-1-4-14(11-13)24-31(28,29)15-6-7-17(25)16(12-15)23-19(26)8-9-22-20(27)18-5-2-10-30-18/h1-7,10-12,24-25H,8-9H2,(H,22,27)(H,23,26)
InChIKeyMQQXETAWXQSBGF-UHFFFAOYSA-N
MW463.90 g/mol
LogP3.20
Rot. Bonds8

About N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide

N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 36925060) has the molecular formula C20H18ClN3O6S and a molecular weight of 463.90 g/mol. Its IUPAC name is N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide
PubChem CID36925060
Molecular FormulaC20H18ClN3O6S
Molecular Weight463.90 g/mol
Exact Mass463.06
IUPAC NameN-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C20H18ClN3O6S/c21-13-3-1-4-14(11-13)24-31(28,29)15-6-7-17(25)16(12-15)23-19(26)8-9-22-20(27)18-5-2-10-30-18/h1-7,10-12,24-25H,8-9H2,(H,22,27)(H,23,26)
InChIKeyMQQXETAWXQSBGF-UHFFFAOYSA-N
XLogP3.20
TPSA137.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
CID 36925997
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 24673045
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 5006611
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,6-difluorobenzenesulfonamide
CID 29424831
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
CID 46549914
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589603
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36928944
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide (CID 36925060) is N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O.
What is the InChIKey of N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is MQQXETAWXQSBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O6S/c21-13-3-1-4-14(11-13)24-31(28,29)15-6-7-17(25)16(12-15)23-19(26)8-9-22-20(27)18-5-2-10-30-18/h1-7,10-12,24-25H,8-9H2,(H,22,27)(H,23,26).
What are the key properties of N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 463.90 g/mol, XLogP of 3.20, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 36925060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).