4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine

C13H11F3N2O2S — CID 62111812

IUPAC4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine
SMILESNc1cnccc1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)10-3-1-9(2-4-10)8-21(19,20)12-5-6-18-7-11(12)17/h1-7H,8,17H2
InChIKeyODUFWEVUGYTOFU-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.66
Rot. Bonds3

About 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine

4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine (PubChem CID 62111812) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine
PubChem CID62111812
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine
SMILESNc1cnccc1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)10-3-1-9(2-4-10)8-21(19,20)12-5-6-18-7-11(12)17/h1-7H,8,17H2
InChIKeyODUFWEVUGYTOFU-UHFFFAOYSA-N
XLogP2.66
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine
CID 62112965
4-(2-fluoroethylsulfonyl)pyridin-3-amine
CID 80694965
5-[(3-amino-4-pyridinyl)sulfonylmethyl]-2-methoxybenzonitrile
CID 65339217
methyl 3-amino-4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]benzoate
CID 172616296
3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide
CID 62113980
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
CID 62112810
4-nonylsulfonylpyridin-3-amine
CID 55035695
4-(1,3-benzothiazol-2-ylmethylsulfonyl)pyridin-3-amine
CID 104631686
5-[(3-amino-4-pyridinyl)sulfonyl]pentanenitrile
CID 62113641
4-[(2-methyl-3-nitrophenyl)methylsulfonyl]pyridin-3-amine
CID 62112298
[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117380123

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine (CID 62111812) is 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine is Nc1cnccc1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine?
The InChIKey is ODUFWEVUGYTOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)10-3-1-9(2-4-10)8-21(19,20)12-5-6-18-7-11(12)17/h1-7H,8,17H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine?
4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine has a molecular weight of 316.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine is sourced from PubChem (CID 62111812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).