6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide

C8H6ClF5N2O2S — CID 118849387

IUPAC6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)F)c(CCl)nc1C(F)(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-2-4-3(7(10)11)1-5(19(15,17)18)6(16-4)8(12,13)14/h1,7H,2H2,(H2,15,17,18)
InChIKeyKBJLWUGVLKLBPO-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.42
Rot. Bonds3

About 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide

6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 118849387) has the molecular formula C8H6ClF5N2O2S and a molecular weight of 324.66 g/mol. Its IUPAC name is 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID118849387
Molecular FormulaC8H6ClF5N2O2S
Molecular Weight324.66 g/mol
Exact Mass323.98
IUPAC Name6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)F)c(CCl)nc1C(F)(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-2-4-3(7(10)11)1-5(19(15,17)18)6(16-4)8(12,13)14/h1,7H,2H2,(H2,15,17,18)
InChIKeyKBJLWUGVLKLBPO-UHFFFAOYSA-N
XLogP2.42
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837901
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
6-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663474
6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 118808682
6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070493
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide
CID 130086457
6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130102782
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671081

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide (CID 118849387) is 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1cc(C(F)F)c(CCl)nc1C(F)(F)F.
What is the InChIKey of 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is KBJLWUGVLKLBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O2S/c9-2-4-3(7(10)11)1-5(19(15,17)18)6(16-4)8(12,13)14/h1,7H,2H2,(H2,15,17,18).
What are the key properties of 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide?
6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 324.66 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 118849387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).