(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C18H19ClF3N3O5S — CID 20610346

IUPAC(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N(CCO)c2ccc(N)cc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C18H19ClF3N3O5S/c1-17(28,18(20,21)22)16(27)24-15-7-6-13(10-14(15)19)31(29,30)25(8-9-26)12-4-2-11(23)3-5-12/h2-7,10,26,28H,8-9,23H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyDYDLVKHJGMHAEW-QGZVFWFLSA-N
MW481.88 g/mol
LogP2.36
Rot. Bonds7

About (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 20610346) has the molecular formula C18H19ClF3N3O5S and a molecular weight of 481.88 g/mol. Its IUPAC name is (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID20610346
Molecular FormulaC18H19ClF3N3O5S
Molecular Weight481.88 g/mol
Exact Mass481.07
IUPAC Name(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N(CCO)c2ccc(N)cc2)cc1Cl)C(F)(F)F
InChIInChI=1S/C18H19ClF3N3O5S/c1-17(28,18(20,21)22)16(27)24-15-7-6-13(10-14(15)19)31(29,30)25(8-9-26)12-4-2-11(23)3-5-12/h2-7,10,26,28H,8-9,23H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyDYDLVKHJGMHAEW-QGZVFWFLSA-N
XLogP2.36
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.88
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-chloro-4-[ethyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610347
(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
(2R)-N-[2-chloro-4-[3-(diethylamino)propylsulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10813808
N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
N-[2-chloro-4-[2-(2-hydroxyethylsulfonyl)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287160
N-[2-chloro-4-[4-(1,3-dihydroxypropan-2-ylamino)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287435
N-[2-chloro-4-(2-hydroxyethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 174444785
(2R)-N-[2-chloro-4-(2-oxobenzimidazol-5-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18343690
N-[2-chloro-4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287474
(2R)-N-[2-chloro-4-[4-(diaminomethylideneamino)sulfonylphenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 142647927
2-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 22287131

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 20610346) is (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N(CCO)c2ccc(N)cc2)cc1Cl)C(F)(F)F.
What is the InChIKey of (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is DYDLVKHJGMHAEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClF3N3O5S/c1-17(28,18(20,21)22)16(27)24-15-7-6-13(10-14(15)19)31(29,30)25(8-9-26)12-4-2-11(23)3-5-12/h2-7,10,26,28H,8-9,23H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 481.88 g/mol, XLogP of 2.36, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(4-aminophenyl)-(2-hydroxyethyl)sulfamoyl]-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 20610346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).