(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride

C12H14ClF3N2O4S — CID 163396164

IUPAC(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O4S.ClH/c13-12(14,15)22(19,20)8-3-1-2-7(6-8)17-11(18)10-9(16)4-5-21-10;/h1-3,6,9-10H,4-5,16H2,(H,17,18);1H/t9-,10+;/m1./s1
InChIKeyVZJBNJLRLVFXOK-UXQCFNEQSA-N
MW374.77 g/mol
LogP1.46
Rot. Bonds3

About (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride

(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 163396164) has the molecular formula C12H14ClF3N2O4S and a molecular weight of 374.77 g/mol. Its IUPAC name is (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID163396164
Molecular FormulaC12H14ClF3N2O4S
Molecular Weight374.77 g/mol
Exact Mass374.03
IUPAC Name(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O4S.ClH/c13-12(14,15)22(19,20)8-3-1-2-7(6-8)17-11(18)10-9(16)4-5-21-10;/h1-3,6,9-10H,4-5,16H2,(H,17,18);1H/t9-,10+;/m1./s1
InChIKeyVZJBNJLRLVFXOK-UXQCFNEQSA-N
XLogP1.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 170310866
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
CID 163395369
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395292
2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 170310821
3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664
3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 170310858
(1R,2S,4R)-2-amino-4-methoxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395959
cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395221
2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 172782579
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride (CID 163396164) is (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride is Cl.N[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is VZJBNJLRLVFXOK-UXQCFNEQSA-N. The full InChI is InChI=1S/C12H13F3N2O4S.ClH/c13-12(14,15)22(19,20)8-3-1-2-7(6-8)17-11(18)10-9(16)4-5-21-10;/h1-3,6,9-10H,4-5,16H2,(H,17,18);1H/t9-,10+;/m1./s1.
What are the key properties of (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 374.77 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 163396164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).