2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide

C12H6F3N3O2S — CID 106595373

IUPAC2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H6F3N3O2S/c13-7-3-4-8(12(15)11(7)14)18-21(19,20)10-2-1-5-17-9(10)6-16/h1-5,18H
InChIKeyCEJFSJWIPCZNGU-UHFFFAOYSA-N
MW313.26 g/mol
LogP2.17
Rot. Bonds3

About 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide

2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide (PubChem CID 106595373) has the molecular formula C12H6F3N3O2S and a molecular weight of 313.26 g/mol. Its IUPAC name is 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
PubChem CID106595373
Molecular FormulaC12H6F3N3O2S
Molecular Weight313.26 g/mol
Exact Mass313.01
IUPAC Name2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H6F3N3O2S/c13-7-3-4-8(12(15)11(7)14)18-21(19,20)10-2-1-5-17-9(10)6-16/h1-5,18H
InChIKeyCEJFSJWIPCZNGU-UHFFFAOYSA-N
XLogP2.17
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
N-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 106598121
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
N-(4-amino-3-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593210
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide (CID 106595373) is 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
The InChIKey is CEJFSJWIPCZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O2S/c13-7-3-4-8(12(15)11(7)14)18-21(19,20)10-2-1-5-17-9(10)6-16/h1-5,18H.
What are the key properties of 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide?
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide has a molecular weight of 313.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106595373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).