(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

C10H11F3N2O4S — CID 154126143

IUPAC(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESNC(=O)[C@@](N)(CO)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)6-1-3-7(4-2-6)20(18,19)9(15,5-16)8(14)17/h1-4,16H,5,15H2,(H2,14,17)/t9-/m1/s1
InChIKeyCPWHHTMXDCVGIC-SECBINFHSA-N
MW312.27 g/mol
LogP-0.39
Rot. Bonds4

About (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide

(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (PubChem CID 154126143) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
PubChem CID154126143
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
SMILESNC(=O)[C@@](N)(CO)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)6-1-3-7(4-2-6)20(18,19)9(15,5-16)8(14)17/h1-4,16H,5,15H2,(H2,14,17)/t9-/m1/s1
InChIKeyCPWHHTMXDCVGIC-SECBINFHSA-N
XLogP-0.39
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Diamino-2-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 22991776
2,3-Diamino-3-[4-(trifluoromethyl)phenyl]sulfonylpropanoic acid
CID 67642786
3-Hydroxy-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 87792221
(2S)-N,3-dihydroxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 87792222
(2S)-2-amino-3-sulfanyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 154353701
3-Hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 67647085
(2R)-2-amino-N,3-dihydroxy-2-(4-phenylphenyl)sulfonylpropanamide
CID 143175692
(2R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylpropanamide
CID 143175700
(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
CID 150087759
(2R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylpropanamide
CID 151966798
(2R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylpropanamide
CID 154152303
(2R)-2-amino-3-hydroxy-2-naphthalen-2-ylsulfonylpropanamide
CID 154155267

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide (CID 154126143) is (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is NC(=O)[C@@](N)(CO)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
The InChIKey is CPWHHTMXDCVGIC-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c11-10(12,13)6-1-3-7(4-2-6)20(18,19)9(15,5-16)8(14)17/h1-4,16H,5,15H2,(H2,14,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide?
(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide has a molecular weight of 312.27 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 154126143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).