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

C18H18ClF3N2O4S — CID 20610347

IUPAC(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-24(12-7-5-4-6-8-12)29(27,28)13-9-10-15(14(19)11-13)23-16(25)17(2,26)18(20,21)22/h4-11,26H,3H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyZKAHXAFFOCAKKV-QGZVFWFLSA-N
MW450.87 g/mol
LogP3.81
Rot. Bonds6

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

(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 20610347) has the molecular formula C18H18ClF3N2O4S and a molecular weight of 450.87 g/mol. Its IUPAC name is (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID20610347
Molecular FormulaC18H18ClF3N2O4S
Molecular Weight450.87 g/mol
Exact Mass450.06
IUPAC Name(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-24(12-7-5-4-6-8-12)29(27,28)13-9-10-15(14(19)11-13)23-16(25)17(2,26)18(20,21)22/h4-11,26H,3H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyZKAHXAFFOCAKKV-QGZVFWFLSA-N
XLogP3.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.87
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610346
(2R)-N-[2-chloro-4-[methyl(propyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610350
N-(2-chloro-4-propylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287187
N-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonylbenzamide
CID 18758712
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
N-[2-chloro-4-[2-(methanesulfonamido)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287296
N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
N-[2-chloro-4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287474
N-[2-chloro-4-[2-(2-hydroxyethylsulfonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287160
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 20610347) is (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is ZKAHXAFFOCAKKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S/c1-3-24(12-7-5-4-6-8-12)29(27,28)13-9-10-15(14(19)11-13)23-16(25)17(2,26)18(20,21)22/h4-11,26H,3H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 450.87 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 20610347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).