6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride

C7H4ClF2N3O2S — CID 130103695

IUPAC6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESN#Cc1c(S(=O)(=O)Cl)cnc(N)c1C(F)F
InChIInChI=1S/C7H4ClF2N3O2S/c8-16(14,15)4-2-13-7(12)5(6(9)10)3(4)1-11/h2,6H,(H2,12,13)
InChIKeyJAFPCWXWSXWNEK-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.40
Rot. Bonds2

About 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride

6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 130103695) has the molecular formula C7H4ClF2N3O2S and a molecular weight of 267.64 g/mol. Its IUPAC name is 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID130103695
Molecular FormulaC7H4ClF2N3O2S
Molecular Weight267.64 g/mol
Exact Mass266.97
IUPAC Name6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESN#Cc1c(S(=O)(=O)Cl)cnc(N)c1C(F)F
InChIInChI=1S/C7H4ClF2N3O2S/c8-16(14,15)4-2-13-7(12)5(6(9)10)3(4)1-11/h2,6H,(H2,12,13)
InChIKeyJAFPCWXWSXWNEK-UHFFFAOYSA-N
XLogP1.40
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042
4-chloro-6-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118799899
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358
6-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119016728
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-sulfonamide
CID 134685278
5-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 134685987
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
6-amino-2-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103708

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride (CID 130103695) is 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride is N#Cc1c(S(=O)(=O)Cl)cnc(N)c1C(F)F.
What is the InChIKey of 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is JAFPCWXWSXWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3O2S/c8-16(14,15)4-2-13-7(12)5(6(9)10)3(4)1-11/h2,6H,(H2,12,13).
What are the key properties of 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 267.64 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130103695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).