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

C7H7ClF2N2O2S — CID 134673245

IUPAC2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESNCc1nccc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C7H7ClF2N2O2S/c8-15(13,14)5-1-2-12-4(3-11)6(5)7(9)10/h1-2,7H,3,11H2
InChIKeyPLFRIBNNKBMDQS-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.41
Rot. Bonds3

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

2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride (PubChem CID 134673245) has the molecular formula C7H7ClF2N2O2S and a molecular weight of 256.66 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride
PubChem CID134673245
Molecular FormulaC7H7ClF2N2O2S
Molecular Weight256.66 g/mol
Exact Mass255.99
IUPAC Name2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESNCc1nccc(S(=O)(=O)Cl)c1C(F)F
InChIInChI=1S/C7H7ClF2N2O2S/c8-15(13,14)5-1-2-12-4(3-11)6(5)7(9)10/h1-2,7H,3,11H2
InChIKeyPLFRIBNNKBMDQS-UHFFFAOYSA-N
XLogP1.41
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837911
5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823
2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 118832290
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315
5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 134664079
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
3-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 130097988

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride (CID 134673245) is 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The canonical SMILES for 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride is NCc1nccc(S(=O)(=O)Cl)c1C(F)F.
What is the InChIKey of 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The InChIKey is PLFRIBNNKBMDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2S/c8-15(13,14)5-1-2-12-4(3-11)6(5)7(9)10/h1-2,7H,3,11H2.
What are the key properties of 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 134673245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).