3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide

C20H19ClN2O5S — CID 87973635

IUPAC3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCc1occ(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-23(25)19(24)11-10-18-20(14-2-6-15(21)7-3-14)17(12-28-18)13-4-8-16(9-5-13)29(22,26)27/h2-9,12,25H,10-11H2,1H3,(H2,22,26,27)
InChIKeyNDVLNCBKRVNBDR-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.69
Rot. Bonds6

About 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide

3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide (PubChem CID 87973635) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide
PubChem CID87973635
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCc1occ(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O5S/c1-23(25)19(24)11-10-18-20(14-2-6-15(21)7-3-14)17(12-28-18)13-4-8-16(9-5-13)29(22,26)27/h2-9,12,25H,10-11H2,1H3,(H2,22,26,27)
InChIKeyNDVLNCBKRVNBDR-UHFFFAOYSA-N
XLogP3.69
TPSA113.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-chlorophenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylpropanamide
CID 22505697
N-hydroxy-4-[3-(4-methoxyphenyl)-4-(4-sulfamoylphenyl)thiophen-2-yl]-N-methylbutanamide
CID 87973571
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide
CID 87973590
4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275897
5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
CID 173202302
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355558
3-[3-(3,4-dichlorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 67595102
2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
1-[[3-(3-chloro-4-fluorophenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]methyl]-1-hydroxyurea
CID 87973413
ethyl 4-(2-bromoethyl)-5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
CID 175280518
3-(furan-2-yl)-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61131132

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide (CID 87973635) is 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide is CN(O)C(=O)CCc1occ(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide?
The InChIKey is NDVLNCBKRVNBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-23(25)19(24)11-10-18-20(14-2-6-15(21)7-3-14)17(12-28-18)13-4-8-16(9-5-13)29(22,26)27/h2-9,12,25H,10-11H2,1H3,(H2,22,26,27).
What are the key properties of 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide?
3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide has a molecular weight of 434.90 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-4-(4-sulfamoylphenyl)furan-2-yl]-N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 87973635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).