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

C8H6ClF5N2O3S — CID 134682315

IUPAC5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESNCc1cnc(S(=O)(=O)Cl)c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H6ClF5N2O3S/c9-20(17,18)7-4(6(10)11)5(19-8(12,13)14)3(1-15)2-16-7/h2,6H,1,15H2
InChIKeyYSFKUUBBGFYLBV-UHFFFAOYSA-N
MW340.66 g/mol
LogP2.30
Rot. Bonds4

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

5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 134682315) has the molecular formula C8H6ClF5N2O3S and a molecular weight of 340.66 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID134682315
Molecular FormulaC8H6ClF5N2O3S
Molecular Weight340.66 g/mol
Exact Mass339.97
IUPAC Name5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESNCc1cnc(S(=O)(=O)Cl)c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H6ClF5N2O3S/c9-20(17,18)7-4(6(10)11)5(19-8(12,13)14)3(1-15)2-16-7/h2,6H,1,15H2
InChIKeyYSFKUUBBGFYLBV-UHFFFAOYSA-N
XLogP2.30
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.66
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134670035
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134682381
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826646
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669918

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 134682315) is 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride is NCc1cnc(S(=O)(=O)Cl)c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is YSFKUUBBGFYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O3S/c9-20(17,18)7-4(6(10)11)5(19-8(12,13)14)3(1-15)2-16-7/h2,6H,1,15H2.
What are the key properties of 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 340.66 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 134682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).