(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide

C12H15F3N2O4S — CID 6539665

IUPAC(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)NO
InChIInChI=1S/C12H15F3N2O4S/c1-7(2)10(11(18)16-19)17-22(20,21)9-5-3-8(4-6-9)12(13,14)15/h3-7,10,17,19H,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyVSKALEKCQDNBLU-SNVBAGLBSA-N
MW340.32 g/mol
LogP1.51
Rot. Bonds5

About (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide

(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide (PubChem CID 6539665) has the molecular formula C12H15F3N2O4S and a molecular weight of 340.32 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
PubChem CID6539665
Molecular FormulaC12H15F3N2O4S
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)NO
InChIInChI=1S/C12H15F3N2O4S/c1-7(2)10(11(18)16-19)17-22(20,21)9-5-3-8(4-6-9)12(13,14)15/h3-7,10,17,19H,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyVSKALEKCQDNBLU-SNVBAGLBSA-N
XLogP1.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55940434
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2768785
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 134100923
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
3-methoxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 81086028
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 87298601
3-methyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]sulfonylamino]butanoic acid
CID 174394958
N-(1,1-dimethoxypropan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 5165120
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085
3-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]butanoic acid
CID 122067949
N-[(2S)-1-(2-acetylhydrazinyl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzenesulfonamide
CID 9166071

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide (CID 6539665) is (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide is CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)NO.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide?
The InChIKey is VSKALEKCQDNBLU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F3N2O4S/c1-7(2)10(11(18)16-19)17-22(20,21)9-5-3-8(4-6-9)12(13,14)15/h3-7,10,17,19H,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide has a molecular weight of 340.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide is sourced from PubChem (CID 6539665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).