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

C12H9F3N2O3S — CID 142750443

IUPAC5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
SMILESNc1cncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)20-9-1-3-10(4-2-9)21(18,19)11-5-8(16)6-17-7-11/h1-7H,16H2
InChIKeyLHVDSLPNFBWJEG-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.40
Rot. Bonds3

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

5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine (PubChem CID 142750443) has the molecular formula C12H9F3N2O3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
PubChem CID142750443
Molecular FormulaC12H9F3N2O3S
Molecular Weight318.28 g/mol
Exact Mass318.03
IUPAC Name5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
SMILESNc1cncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)20-9-1-3-10(4-2-9)21(18,19)11-5-8(16)6-17-7-11/h1-7H,16H2
InChIKeyLHVDSLPNFBWJEG-UHFFFAOYSA-N
XLogP2.40
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-fluoro-4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 150115631
2-amino-2-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]sulfonyl-3-pyridinyl]ethanone
CID 175316640
2-methyl-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine
CID 158325201
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
3-amino-N-ethoxy-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
CID 174889373
5,8-bis[[4-(trifluoromethoxy)phenyl]sulfonyl]isoquinoline
CID 71502926
N-tert-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonylaniline
CID 22358258
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
CID 57337680
5-phenyl-7-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolo[2,3-b]pyrazin-6-amine
CID 118611264
5-methylsulfonyl-2-[4-(trifluoromethoxy)phenoxy]aniline
CID 167530156
1-[(2-methylpropan-2-yl)oxy]-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 153455633

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine (CID 142750443) is 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine is Nc1cncc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
The InChIKey is LHVDSLPNFBWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S/c13-12(14,15)20-9-1-3-10(4-2-9)21(18,19)11-5-8(16)6-17-7-11/h1-7H,16H2.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine?
5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine has a molecular weight of 318.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-3-amine is sourced from PubChem (CID 142750443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).