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

C14H14F3N3O2S — CID 902070

IUPACN,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C14H14F3N3O2S/c1-20(2)23(21,22)12-6-7-13(18-9-12)19-11-5-3-4-10(8-11)14(15,16)17/h3-9H,1-2H3,(H,18,19)
InChIKeyGJZFJSQYYRPXGL-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.09
Rot. Bonds4

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

N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (PubChem CID 902070) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
PubChem CID902070
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C14H14F3N3O2S/c1-20(2)23(21,22)12-6-7-13(18-9-12)19-11-5-3-4-10(8-11)14(15,16)17/h3-9H,1-2H3,(H,18,19)
InChIKeyGJZFJSQYYRPXGL-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide (CID 902070) is N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
The InChIKey is GJZFJSQYYRPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-20(2)23(21,22)12-6-7-13(18-9-12)19-11-5-3-4-10(8-11)14(15,16)17/h3-9H,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide?
N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide has a molecular weight of 345.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-(trifluoromethyl)anilino]pyridine-3-sulfonamide is sourced from PubChem (CID 902070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).