2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine

C13H11F3N2O3S — CID 158325201

IUPAC2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
SMILESCc1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N
InChIInChI=1S/C13H11F3N2O3S/c1-8-12(17)6-11(7-18-8)22(19,20)10-4-2-9(3-5-10)21-13(14,15)16/h2-7H,17H2,1H3
InChIKeyGPHZBPGCKQTIHQ-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine

2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine (PubChem CID 158325201) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
PubChem CID158325201
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
SMILESCc1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N
InChIInChI=1S/C13H11F3N2O3S/c1-8-12(17)6-11(7-18-8)22(19,20)10-4-2-9(3-5-10)21-13(14,15)16/h2-7H,17H2,1H3
InChIKeyGPHZBPGCKQTIHQ-UHFFFAOYSA-N
XLogP2.70
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
CID 174889373
5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 142750443
5-methylsulfonyl-2-[4-(trifluoromethoxy)phenoxy]aniline
CID 167530156
2-amino-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]sulfonyl-3-pyridinyl]ethanone
CID 175316640
N-tert-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonylaniline
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5-(4-methoxyphenyl)sulfonyl-2-(trifluoromethyl)aniline
CID 57430824
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 63822968
1-[(2-methylpropan-2-yl)oxy]-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 153455633
5,8-bis[[4-(trifluoromethoxy)phenyl]sulfonyl]isoquinoline
CID 71502926
5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 150115631

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The IUPAC name of 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine (CID 158325201) is 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine is Cc1ncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The InChIKey is GPHZBPGCKQTIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-8-12(17)6-11(7-18-8)22(19,20)10-4-2-9(3-5-10)21-13(14,15)16/h2-7H,17H2,1H3.
What are the key properties of 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine has a molecular weight of 332.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine is sourced from PubChem (CID 158325201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).