2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide

C13H15F3N2O4S — CID 170310821

IUPAC2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1C(O)CCC1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)23(21,22)8-3-1-2-7(6-8)18-12(20)9-4-5-10(19)11(9)17/h1-3,6,9-11,19H,4-5,17H2,(H,18,20)
InChIKeyHAMSVNGFCNLJAT-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.02
Rot. Bonds3

About 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide

2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 170310821) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
PubChem CID170310821
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1C(O)CCC1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)23(21,22)8-3-1-2-7(6-8)18-12(20)9-4-5-10(19)11(9)17/h1-3,6,9-11,19H,4-5,17H2,(H,18,20)
InChIKeyHAMSVNGFCNLJAT-UHFFFAOYSA-N
XLogP1.02
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
CID 163395369
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395292
3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 170310866
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
(2S,3R)-3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 163396164
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
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
2-sulfanyl-N-[3-(trifluoromethylsulfonyl)phenyl]propanamide
CID 163591914

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide (CID 170310821) is 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide is NC1C(O)CCC1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is HAMSVNGFCNLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c14-13(15,16)23(21,22)8-3-1-2-7(6-8)18-12(20)9-4-5-10(19)11(9)17/h1-3,6,9-11,19H,4-5,17H2,(H,18,20).
What are the key properties of 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide?
2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 170310821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).