2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C9H10F3N3O3S2 — CID 115824731

IUPAC2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1SCCS(N)(=O)=O
InChIInChI=1S/C9H10F3N3O3S2/c10-9(11,12)6-2-1-5(7(13)16)8(15-6)19-3-4-20(14,17)18/h1-2H,3-4H2,(H2,13,16)(H2,14,17,18)
InChIKeyFHGOFDDZKCSUCB-UHFFFAOYSA-N
MW329.33 g/mol
LogP0.58
Rot. Bonds5

About 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 115824731) has the molecular formula C9H10F3N3O3S2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID115824731
Molecular FormulaC9H10F3N3O3S2
Molecular Weight329.33 g/mol
Exact Mass329.01
IUPAC Name2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1SCCS(N)(=O)=O
InChIInChI=1S/C9H10F3N3O3S2/c10-9(11,12)6-2-1-5(7(13)16)8(15-6)19-3-4-20(14,17)18/h1-2H,3-4H2,(H2,13,16)(H2,14,17,18)
InChIKeyFHGOFDDZKCSUCB-UHFFFAOYSA-N
XLogP0.58
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropanoate
CID 79874361
2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877133
2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 50878544
2-(4-chlorobutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876806
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115382955
2-[(5-chloro-2-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875347
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876933
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanesulfonyl chloride
CID 79877291
2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877270
2-benzylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 67912405
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 115824731) is 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1SCCS(N)(=O)=O.
What is the InChIKey of 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FHGOFDDZKCSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S2/c10-9(11,12)6-2-1-5(7(13)16)8(15-6)19-3-4-20(14,17)18/h1-2H,3-4H2,(H2,13,16)(H2,14,17,18).
What are the key properties of 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115824731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).