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

C14H17F3N2O3S — CID 163395369

IUPAC2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)23(21,22)10-5-3-4-9(8-10)19-13(20)11-6-1-2-7-12(11)18/h3-5,8,11-12H,1-2,6-7,18H2,(H,19,20)
InChIKeyZYSLEKUDZJMPBQ-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.44
Rot. Bonds3

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

2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 163395369) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
PubChem CID163395369
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c15-14(16,17)23(21,22)10-5-3-4-9(8-10)19-13(20)11-6-1-2-7-12(11)18/h3-5,8,11-12H,1-2,6-7,18H2,(H,19,20)
InChIKeyZYSLEKUDZJMPBQ-UHFFFAOYSA-N
XLogP2.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395292
3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 170310866
2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 170310821
(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
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 172782579
cis-(1R,2R)-2-amino-1-fluoro-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395221
3-amino-N-[3-(trifluoromethylsulfonyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 170310858
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
CID 115377162

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide (CID 163395369) is 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is ZYSLEKUDZJMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c15-14(16,17)23(21,22)10-5-3-4-9(8-10)19-13(20)11-6-1-2-7-12(11)18/h3-5,8,11-12H,1-2,6-7,18H2,(H,19,20).
What are the key properties of 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide?
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 163395369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).