N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

C19H14ClF2N3O4S2 — CID 24673103

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccnc1SC(F)F
InChIInChI=1S/C19H14ClF2N3O4S2/c20-11-3-1-4-12(9-11)25-31(28,29)13-6-7-16(26)15(10-13)24-17(27)14-5-2-8-23-18(14)30-19(21)22/h1-10,19,25-26H,(H,24,27)
InChIKeyXCBMTNZJAUTJJM-UHFFFAOYSA-N
MW485.92 g/mol
LogP4.81
Rot. Bonds7

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 24673103) has the molecular formula C19H14ClF2N3O4S2 and a molecular weight of 485.92 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID24673103
Molecular FormulaC19H14ClF2N3O4S2
Molecular Weight485.92 g/mol
Exact Mass485.01
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccnc1SC(F)F
InChIInChI=1S/C19H14ClF2N3O4S2/c20-11-3-1-4-12(9-11)25-31(28,29)13-6-7-16(26)15(10-13)24-17(27)14-5-2-8-23-18(14)30-19(21)22/h1-10,19,25-26H,(H,24,27)
InChIKeyXCBMTNZJAUTJJM-UHFFFAOYSA-N
XLogP4.81
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 54.81
H-Bond Donors ≤ 53
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]benzamide
CID 36925968
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
CID 46549914
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,6-difluorobenzenesulfonamide
CID 29424831
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893111
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
CID 36925997
N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 23093892
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430900

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (CID 24673103) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccnc1SC(F)F.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is XCBMTNZJAUTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O4S2/c20-11-3-1-4-12(9-11)25-31(28,29)13-6-7-16(26)15(10-13)24-17(27)14-5-2-8-23-18(14)30-19(21)22/h1-10,19,25-26H,(H,24,27).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 485.92 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 24673103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).