N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide

C13H12F3N3O2S — CID 901902

IUPACN-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H12F3N3O2S/c1-17-22(20,21)11-5-6-12(18-8-11)19-10-4-2-3-9(7-10)13(14,15)16/h2-8,17H,1H3,(H,18,19)
InChIKeyVNXNMBLTEPWKJF-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.75
Rot. Bonds4

About N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide

N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (PubChem CID 901902) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
PubChem CID901902
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC NameN-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H12F3N3O2S/c1-17-22(20,21)11-5-6-12(18-8-11)19-10-4-2-3-9(7-10)13(14,15)16/h2-8,17H,1H3,(H,18,19)
InChIKeyVNXNMBLTEPWKJF-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (CID 901902) is N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The InChIKey is VNXNMBLTEPWKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-17-22(20,21)11-5-6-12(18-8-11)19-10-4-2-3-9(7-10)13(14,15)16/h2-8,17H,1H3,(H,18,19).
What are the key properties of N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide has a molecular weight of 331.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is sourced from PubChem (CID 901902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).