2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide

C6H8F2N4O2S — CID 119003766

IUPAC2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide
SMILESNc1cc(S(N)(=O)=O)c(C(F)F)c(N)n1
InChIInChI=1S/C6H8F2N4O2S/c7-5(8)4-2(15(11,13)14)1-3(9)12-6(4)10/h1,5H,(H4,9,10,12)(H2,11,13,14)
InChIKeyBONHROMKOWSXSD-UHFFFAOYSA-N
MW238.22 g/mol
LogP-0.17
Rot. Bonds2

About 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide

2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide (PubChem CID 119003766) has the molecular formula C6H8F2N4O2S and a molecular weight of 238.22 g/mol. Its IUPAC name is 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide
PubChem CID119003766
Molecular FormulaC6H8F2N4O2S
Molecular Weight238.22 g/mol
Exact Mass238.03
IUPAC Name2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide
SMILESNc1cc(S(N)(=O)=O)c(C(F)F)c(N)n1
InChIInChI=1S/C6H8F2N4O2S/c7-5(8)4-2(15(11,13)14)1-3(9)12-6(4)10/h1,5H,(H4,9,10,12)(H2,11,13,14)
InChIKeyBONHROMKOWSXSD-UHFFFAOYSA-N
XLogP-0.17
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104441
6-amino-2-cyano-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130103745
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
6-amino-4-bromo-3-(difluoromethyl)pyridine-2-sulfonamide
CID 130102335
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918
6-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119016728
2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
CID 119008964
3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104467
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide?
The IUPAC name of 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide (CID 119003766) is 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide is Nc1cc(S(N)(=O)=O)c(C(F)F)c(N)n1.
What is the InChIKey of 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide?
The InChIKey is BONHROMKOWSXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O2S/c7-5(8)4-2(15(11,13)14)1-3(9)12-6(4)10/h1,5H,(H4,9,10,12)(H2,11,13,14).
What are the key properties of 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide?
2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide has a molecular weight of 238.22 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 119003766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).