N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide

C17H12F3N3O3S — CID 52914667

IUPACN-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c1)c1ccccn1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)12-4-3-5-14(10-12)27(25,26)23-9-7-13(11-23)22-16(24)15-6-1-2-8-21-15/h1-11H,(H,22,24)
InChIKeyYWXIKUWNSZIJSK-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.39
Rot. Bonds4

About N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide

N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52914667) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52914667
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c1)c1ccccn1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)12-4-3-5-14(10-12)27(25,26)23-9-7-13(11-23)22-16(24)15-6-1-2-8-21-15/h1-11H,(H,22,24)
InChIKeyYWXIKUWNSZIJSK-UHFFFAOYSA-N
XLogP3.39
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate
CID 73058476
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
N-[1-[4-(1,1-difluoroethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 71260481
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155776669
N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 137032504
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
N-pyrazolo[1,5-a]pyridin-5-yl-3-(trifluoromethyl)benzamide
CID 86266831
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 52914667) is N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c1)c1ccccn1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is YWXIKUWNSZIJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c18-17(19,20)12-4-3-5-14(10-12)27(25,26)23-9-7-13(11-23)22-16(24)15-6-1-2-8-21-15/h1-11H,(H,22,24).
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52914667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).