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

C7H7ClF2N2O2S — CID 134664079

IUPAC5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cnc(C(F)F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H7ClF2N2O2S/c8-15(13,14)5-1-4(2-11)3-12-6(5)7(9)10/h1,3,7H,2,11H2
InChIKeyMJRXZHFIMFABQS-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.41
Rot. Bonds3

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

5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 134664079) has the molecular formula C7H7ClF2N2O2S and a molecular weight of 256.66 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID134664079
Molecular FormulaC7H7ClF2N2O2S
Molecular Weight256.66 g/mol
Exact Mass255.99
IUPAC Name5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cnc(C(F)F)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H7ClF2N2O2S/c8-15(13,14)5-1-4(2-11)3-12-6(5)7(9)10/h1,3,7H,2,11H2
InChIKeyMJRXZHFIMFABQS-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

5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118832269
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084815
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
2-(difluoromethyl)-5-hydroxy-4-iodopyridine-3-sulfonyl chloride
CID 118854704
2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
2-(difluoromethyl)-5-fluoropyridine-3-sulfonamide
CID 118854230
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
CID 118815364
5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823
2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 134673245

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride (CID 134664079) is 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride is NCc1cnc(C(F)F)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is MJRXZHFIMFABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2S/c8-15(13,14)5-1-4(2-11)3-12-6(5)7(9)10/h1,3,7H,2,11H2.
What are the key properties of 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride?
5-(aminomethyl)-2-(difluoromethyl)pyridine-3-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 5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134664079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).