4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride

C8H6ClF5N2O2S — CID 118852322

IUPAC4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cc(C(F)(F)F)nc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)6-3(2-15)1-4(8(12,13)14)16-5(6)7(10)11/h1,7H,2,15H2
InChIKeyOAQUPIUFWWHEMA-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.42
Rot. Bonds3

About 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride

4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 118852322) has the molecular formula C8H6ClF5N2O2S and a molecular weight of 324.66 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID118852322
Molecular FormulaC8H6ClF5N2O2S
Molecular Weight324.66 g/mol
Exact Mass323.98
IUPAC Name4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cc(C(F)(F)F)nc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)6-3(2-15)1-4(8(12,13)14)16-5(6)7(10)11/h1,7H,2,15H2
InChIKeyOAQUPIUFWWHEMA-UHFFFAOYSA-N
XLogP2.42
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
3-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084824
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134682381
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084815
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118846600
5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide
CID 118807327

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 118852322) is 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride is NCc1cc(C(F)(F)F)nc(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is OAQUPIUFWWHEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O2S/c9-19(17,18)6-3(2-15)1-4(8(12,13)14)16-5(6)7(10)11/h1,7H,2,15H2.
What are the key properties of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride?
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 324.66 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118852322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).