3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride

C7H4ClF2N3O2S — CID 130103729

IUPAC3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESN#Cc1cc(N)c(S(=O)(=O)Cl)nc1C(F)F
InChIInChI=1S/C7H4ClF2N3O2S/c8-16(14,15)7-4(12)1-3(2-11)5(13-7)6(9)10/h1,6H,12H2
InChIKeyYNTBXDJUIQSIPX-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.40
Rot. Bonds2

About 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride

3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 130103729) has the molecular formula C7H4ClF2N3O2S and a molecular weight of 267.64 g/mol. Its IUPAC name is 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID130103729
Molecular FormulaC7H4ClF2N3O2S
Molecular Weight267.64 g/mol
Exact Mass266.97
IUPAC Name3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESN#Cc1cc(N)c(S(=O)(=O)Cl)nc1C(F)F
InChIInChI=1S/C7H4ClF2N3O2S/c8-16(14,15)7-4(12)1-3(2-11)5(13-7)6(9)10/h1,6H,12H2
InChIKeyYNTBXDJUIQSIPX-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

3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130077780
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130109159
4-amino-6-cyano-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118851281
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130103192
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118811093

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride (CID 130103729) is 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride is N#Cc1cc(N)c(S(=O)(=O)Cl)nc1C(F)F.
What is the InChIKey of 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is YNTBXDJUIQSIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3O2S/c8-16(14,15)7-4(12)1-3(2-11)5(13-7)6(9)10/h1,6H,12H2.
What are the key properties of 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-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 3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130103729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).