5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

C19H15F3N2O3S — CID 53311304

IUPAC5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(OC(F)(F)F)c3)c2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-12(6-8-16)14-10-17(18(23)24-11-14)13-3-2-4-15(9-13)27-19(20,21)22/h2-11H,1H3,(H2,23,24)
InChIKeyRAFGFIDLUQSHFE-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.30
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 53311304) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID53311304
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(OC(F)(F)F)c3)c2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-12(6-8-16)14-10-17(18(23)24-11-14)13-3-2-4-15(9-13)27-19(20,21)22/h2-11H,1H3,(H2,23,24)
InChIKeyRAFGFIDLUQSHFE-UHFFFAOYSA-N
XLogP4.30
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]-2-methoxy-phenol
CID 44525553
US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(methylsulfonyl)methyl]pyridin-2-yl}pyridin-2-amine
CID 73508010
3-(6-Methoxy-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 44525560
5-(3-Fluoro-4-methylsulfonyl-phenyl)-3-(6-methoxy-3-pyridyl)pyridin-2-amine
CID 53311568
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
3-(6-Methoxy-3-pyridyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53312322
4-{6-Amino-5-[4-(Methylsulfonyl)phenyl]pyridin-3-Yl}phenol
CID 105539853
6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
3-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
CID 44525557
N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 135348385
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzenesulfonamide
CID 53311066

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 53311304) is 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(OC(F)(F)F)c3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is RAFGFIDLUQSHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-28(25,26)16-7-5-12(6-8-16)14-10-17(18(23)24-11-14)13-3-2-4-15(9-13)27-19(20,21)22/h2-11H,1H3,(H2,23,24).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 408.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 53311304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).