N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide

C12H10F3N3O2S — CID 11472579

IUPACN-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccncc1Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
InChIKeyJLNFQYSZNBKQDV-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.09
Rot. Bonds4

About N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide

N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 11472579) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID11472579
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccncc1Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18)
InChIKeyJLNFQYSZNBKQDV-UHFFFAOYSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide (CID 11472579) is N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccncc1Nc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is JLNFQYSZNBKQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)21(19,20)18-10-6-7-16-8-11(10)17-9-4-2-1-3-5-9/h1-8,17H,(H,16,18).
What are the key properties of N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide?
N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 317.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-4-pyridinyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 11472579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).