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

C8H6ClF5N2O2S — CID 133084823

IUPAC5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESNCc1cnc(S(=O)(=O)Cl)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)7-5(8(12,13)14)4(6(10)11)3(1-15)2-16-7/h2,6H,1,15H2
InChIKeyNACCRTDYNLGIGE-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.42
Rot. Bonds3

About 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride

5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 133084823) has the molecular formula C8H6ClF5N2O2S and a molecular weight of 324.66 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID133084823
Molecular FormulaC8H6ClF5N2O2S
Molecular Weight324.66 g/mol
Exact Mass323.98
IUPAC Name5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESNCc1cnc(S(=O)(=O)Cl)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)7-5(8(12,13)14)4(6(10)11)3(1-15)2-16-7/h2,6H,1,15H2
InChIKeyNACCRTDYNLGIGE-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

5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837911
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 134673245
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134671455
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 118832290

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride (CID 133084823) is 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride is NCc1cnc(S(=O)(=O)Cl)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is NACCRTDYNLGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O2S/c9-19(17,18)7-5(8(12,13)14)4(6(10)11)3(1-15)2-16-7/h2,6H,1,15H2.
What are the key properties of 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride?
5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-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 5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 133084823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).