N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide

C12H8F2N4O2S — CID 106593177

IUPACN-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C12H8F2N4O2S/c13-7-4-8(14)10(5-9(7)16)18-21(19,20)12-2-1-3-17-11(12)6-15/h1-5,18H,16H2
InChIKeyWYBFGGNPRVKYPB-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.61
Rot. Bonds3

About N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide

N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106593177) has the molecular formula C12H8F2N4O2S and a molecular weight of 310.29 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106593177
Molecular FormulaC12H8F2N4O2S
Molecular Weight310.29 g/mol
Exact Mass310.03
IUPAC NameN-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C12H8F2N4O2S/c13-7-4-8(14)10(5-9(7)16)18-21(19,20)12-2-1-3-17-11(12)6-15/h1-5,18H,16H2
InChIKeyWYBFGGNPRVKYPB-UHFFFAOYSA-N
XLogP1.61
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(4-amino-3-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593210
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103298579
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 106598121
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520
N-(6-amino-3-pyridinyl)-2-cyanopyridine-3-sulfonamide
CID 106598402

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide (CID 106593177) is N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1cc(N)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is WYBFGGNPRVKYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O2S/c13-7-4-8(14)10(5-9(7)16)18-21(19,20)12-2-1-3-17-11(12)6-15/h1-5,18H,16H2.
What are the key properties of N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide?
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 310.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106593177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).