N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide

C7H6F3N3O3S — CID 10754419

IUPACN-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide
SMILESNc1ccncc1S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H6F3N3O3S/c8-7(9,10)6(14)13-17(15,16)5-3-12-2-1-4(5)11/h1-3H,(H2,11,12)(H,13,14)
InChIKeyKPISKKBUEAFEDL-UHFFFAOYSA-N
MW269.20 g/mol
LogP0.03
Rot. Bonds2

About N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide

N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide (PubChem CID 10754419) has the molecular formula C7H6F3N3O3S and a molecular weight of 269.20 g/mol. Its IUPAC name is N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide
PubChem CID10754419
Molecular FormulaC7H6F3N3O3S
Molecular Weight269.20 g/mol
Exact Mass269.01
IUPAC NameN-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide
SMILESNc1ccncc1S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H6F3N3O3S/c8-7(9,10)6(14)13-17(15,16)5-3-12-2-1-4(5)11/h1-3H,(H2,11,12)(H,13,14)
InChIKeyKPISKKBUEAFEDL-UHFFFAOYSA-N
XLogP0.03
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide (CID 10754419) is N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide is Nc1ccncc1S(=O)(=O)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide?
The InChIKey is KPISKKBUEAFEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3S/c8-7(9,10)6(14)13-17(15,16)5-3-12-2-1-4(5)11/h1-3H,(H2,11,12)(H,13,14).
What are the key properties of N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide?
N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide has a molecular weight of 269.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-3-pyridinyl)sulfonyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10754419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).