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

C12H8F4N2O3S — CID 150115631

IUPAC5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
SMILESNc1cncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2F)c1
InChIInChI=1S/C12H8F4N2O3S/c13-10-4-8(21-12(14,15)16)1-2-11(10)22(19,20)9-3-7(17)5-18-6-9/h1-6H,17H2
InChIKeyDYEJPTTYBXJTOS-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.53
Rot. Bonds3

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

5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine (PubChem CID 150115631) has the molecular formula C12H8F4N2O3S and a molecular weight of 336.27 g/mol. Its IUPAC name is 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
PubChem CID150115631
Molecular FormulaC12H8F4N2O3S
Molecular Weight336.27 g/mol
Exact Mass336.02
IUPAC Name5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
SMILESNc1cncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2F)c1
InChIInChI=1S/C12H8F4N2O3S/c13-10-4-8(21-12(14,15)16)1-2-11(10)22(19,20)9-3-7(17)5-18-6-9/h1-6H,17H2
InChIKeyDYEJPTTYBXJTOS-UHFFFAOYSA-N
XLogP2.53
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 142750443
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
5,8-bis[[4-(trifluoromethoxy)phenyl]sulfonyl]isoquinoline
CID 71502926
2-amino-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]sulfonyl-3-pyridinyl]ethanone
CID 175316640
2-(2-fluorophenyl)sulfonyl-1-(4-propan-2-ylphenyl)sulfonyl-4-(trifluoromethoxy)benzene
CID 10345941
5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonyl-1-[[(3S)-oxolan-3-yl]methyl]pyrrol-3-amine;pyridine
CID 174888775
2-fluoro-N-methyl-N-(4-methylsulfonylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154848279
2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 158325201
3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
CID 90008186
2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
CID 172676520
2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The IUPAC name of 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine (CID 150115631) is 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine.
What is the SMILES notation for 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The canonical SMILES for 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine is Nc1cncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2F)c1.
What is the InChIKey of 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The InChIKey is DYEJPTTYBXJTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O3S/c13-10-4-8(21-12(14,15)16)1-2-11(10)22(19,20)9-3-7(17)5-18-6-9/h1-6H,17H2.
What are the key properties of 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine has a molecular weight of 336.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine is sourced from PubChem (CID 150115631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).