N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide

C13H9F3N2O3S — CID 171501184

IUPACN-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H9F3N2O3S/c14-13(15,16)22(20,21)11-6-2-1-5-10(11)18-12(19)9-4-3-7-17-8-9/h1-8H,(H,18,19)
InChIKeyOHAJOXXMOQVGRM-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.63
Rot. Bonds3

About N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide

N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide (PubChem CID 171501184) has the molecular formula C13H9F3N2O3S and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
PubChem CID171501184
Molecular FormulaC13H9F3N2O3S
Molecular Weight330.29 g/mol
Exact Mass330.03
IUPAC NameN-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H9F3N2O3S/c14-13(15,16)22(20,21)11-6-2-1-5-10(11)18-12(19)9-4-3-7-17-8-9/h1-8H,(H,18,19)
InChIKeyOHAJOXXMOQVGRM-UHFFFAOYSA-N
XLogP2.63
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 171502365
N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide
CID 21204174
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide (CID 171501184) is N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1S(=O)(=O)C(F)(F)F)c1cccnc1.
What is the InChIKey of N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OHAJOXXMOQVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3S/c14-13(15,16)22(20,21)11-6-2-1-5-10(11)18-12(19)9-4-3-7-17-8-9/h1-8H,(H,18,19).
What are the key properties of N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide?
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 171501184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).