(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide

C16H14F4N2O5S — CID 20610356

IUPAC(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1F)C(F)(F)F
InChIInChI=1S/C16H14F4N2O5S/c1-15(25,16(18,19)20)14(24)21-13-7-6-11(8-12(13)17)28(26,27)22-9-2-4-10(23)5-3-9/h2-8,22-23,25H,1H3,(H,21,24)/t15-/m1/s1
InChIKeyCZLZSSHDSKAAJS-OAHLLOKOSA-N
MW422.36 g/mol
LogP2.58
Rot. Bonds5

About (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide

(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide (PubChem CID 20610356) has the molecular formula C16H14F4N2O5S and a molecular weight of 422.36 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide
PubChem CID20610356
Molecular FormulaC16H14F4N2O5S
Molecular Weight422.36 g/mol
Exact Mass422.06
IUPAC Name(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1F)C(F)(F)F
InChIInChI=1S/C16H14F4N2O5S/c1-15(25,16(18,19)20)14(24)21-13-7-6-11(8-12(13)17)28(26,27)22-9-2-4-10(23)5-3-9/h2-8,22-23,25H,1H3,(H,21,24)/t15-/m1/s1
InChIKeyCZLZSSHDSKAAJS-OAHLLOKOSA-N
XLogP2.58
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
3,3,3-trifluoro-N-[2-fluoro-4-[3-fluoro-4-(2-hydroxyethylsulfanyl)phenyl]sulfonylphenyl]-2-hydroxy-2-methylpropanamide
CID 175237531
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546999
N-[4-[(4-hydroxyphenyl)sulfamoyl]-2-sulfanylphenyl]acetamide
CID 166176655
N-[2-chloro-4-[(3,5-dichloro-2-pyridinyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18758710
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
(2R)-N-[2-chloro-4-(cyclododecylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10601861
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-2-phenylpropanamide
CID 55527551

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide (CID 20610356) is (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide is C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1F)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is CZLZSSHDSKAAJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14F4N2O5S/c1-15(25,16(18,19)20)14(24)21-13-7-6-11(8-12(13)17)28(26,27)22-9-2-4-10(23)5-3-9/h2-8,22-23,25H,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide?
(2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 422.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-N-[2-fluoro-4-[(4-hydroxyphenyl)sulfamoyl]phenyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 20610356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).