N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide

C19H13ClF2N2O4S — CID 36924914

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H13ClF2N2O4S/c20-12-2-1-3-15(8-12)24-29(27,28)16-4-5-18(25)17(10-16)23-19(26)11-6-13(21)9-14(22)7-11/h1-10,24-25H,(H,23,26)
InChIKeyQDOIVKIYVWMRER-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.38
Rot. Bonds5

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide (PubChem CID 36924914) has the molecular formula C19H13ClF2N2O4S and a molecular weight of 438.84 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
PubChem CID36924914
Molecular FormulaC19H13ClF2N2O4S
Molecular Weight438.84 g/mol
Exact Mass438.03
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H13ClF2N2O4S/c20-12-2-1-3-15(8-12)24-29(27,28)16-4-5-18(25)17(10-16)23-19(26)11-6-13(21)9-14(22)7-11/h1-10,24-25H,(H,23,26)
InChIKeyQDOIVKIYVWMRER-UHFFFAOYSA-N
XLogP4.38
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
CID 46549914
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430900
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,6-difluorobenzenesulfonamide
CID 29424831
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
CID 24673057
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
CID 36925997
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 24673103
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 24673045
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893111

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide (CID 36924914) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide is O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide?
The InChIKey is QDOIVKIYVWMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O4S/c20-12-2-1-3-15(8-12)24-29(27,28)16-4-5-18(25)17(10-16)23-19(26)11-6-13(21)9-14(22)7-11/h1-10,24-25H,(H,23,26).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide has a molecular weight of 438.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 36924914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).