5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

C14H13F3N2O2S — CID 511956

IUPAC5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C14H13F3N2O2S/c1-22(20,21)12-6-7-13(19-9-12)18-8-10-2-4-11(5-3-10)14(15,16)17/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyOPGVKXSVNLXZHJ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.12
Rot. Bonds4

About 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine

5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 511956) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
PubChem CID511956
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C14H13F3N2O2S/c1-22(20,21)12-6-7-13(19-9-12)18-8-10-2-4-11(5-3-10)14(15,16)17/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyOPGVKXSVNLXZHJ-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
CID 47280586
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012992
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
CID 79175645
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420374
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
4-chloro-5-[(4-methylsulfonylphenyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 60503092

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine (CID 511956) is 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is CS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is OPGVKXSVNLXZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-22(20,21)12-6-7-13(19-9-12)18-8-10-2-4-11(5-3-10)14(15,16)17/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine?
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 330.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 511956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).