4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride

C7H7ClF2N2O2S — CID 118800549

IUPAC4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
SMILESCc1ncc(C(F)F)c(N)c1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClF2N2O2S/c1-3-6(15(8,13)14)5(11)4(2-12-3)7(9)10/h2,7H,1H3,(H2,11,12)
InChIKeyLVYASNYMIDYRAO-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.84
Rot. Bonds2

About 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride

4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride (PubChem CID 118800549) has the molecular formula C7H7ClF2N2O2S and a molecular weight of 256.66 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
PubChem CID118800549
Molecular FormulaC7H7ClF2N2O2S
Molecular Weight256.66 g/mol
Exact Mass255.99
IUPAC Name4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
SMILESCc1ncc(C(F)F)c(N)c1S(=O)(=O)Cl
InChIInChI=1S/C7H7ClF2N2O2S/c1-3-6(15(8,13)14)5(11)4(2-12-3)7(9)10/h2,7H,1H3,(H2,11,12)
InChIKeyLVYASNYMIDYRAO-UHFFFAOYSA-N
XLogP1.84
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118850596
4-amino-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118817786
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
CID 134672433
2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
CID 118837859
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
CID 118843440
6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 130069585
2-amino-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130094943
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride (CID 118800549) is 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride is Cc1ncc(C(F)F)c(N)c1S(=O)(=O)Cl.
What is the InChIKey of 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
The InChIKey is LVYASNYMIDYRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2S/c1-3-6(15(8,13)14)5(11)4(2-12-3)7(9)10/h2,7H,1H3,(H2,11,12).
What are the key properties of 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride has a molecular weight of 256.66 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 118800549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).