N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide

C25H19FN4O2S — CID 164946014

IUPACN-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4cccc(F)c4)c(C#N)c(N)n3)cc2)cc1
InChIInChI=1S/C25H19FN4O2S/c1-16-5-11-21(12-6-16)33(31,32)30-20-9-7-17(8-10-20)24-14-22(23(15-27)25(28)29-24)18-3-2-4-19(26)13-18/h2-14,30H,1H3,(H2,28,29)
InChIKeyVFTFPVGRUWFDKP-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.12
Rot. Bonds5

About N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide

N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 164946014) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID164946014
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC NameN-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4cccc(F)c4)c(C#N)c(N)n3)cc2)cc1
InChIInChI=1S/C25H19FN4O2S/c1-16-5-11-21(12-6-16)33(31,32)30-20-9-7-17(8-10-20)24-14-22(23(15-27)25(28)29-24)18-3-2-4-19(26)13-18/h2-14,30H,1H3,(H2,28,29)
InChIKeyVFTFPVGRUWFDKP-UHFFFAOYSA-N
XLogP5.12
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

PF-915275
CID 23725123
4-tert-butyl-N-(6-methylpyridin-2-yl)benzenesulfonamide
CID 815224
N-(Pyridin-2-yl) arylsulfonamide, 22
CID 44143311
N-(6-methylpyridin-2-yl)naphthalene-2-sulfonamide
CID 755284
N-(Pyridin-2-yl) arylsulfonamide, 12
CID 3812801
Biphenyl-4-sulfonic acid (6-methyl-pyridin-2-yl)-amide
CID 4982676
N-(Pyridin-2-yl) arylsulfonamide, 28
CID 12002968
N-(Pyridin-2-yl) arylsulfonamide, 19
CID 44143308
N-(Pyridin-2-yl) arylsulfonamide, 21
CID 44143310
N-(Pyridin-2-yl) arylsulfonamide, 23
CID 44143312
N-(Pyridin-2-yl) arylsulfonamide, 24
CID 44143313
N-(Pyridin-2-yl) arylsulfonamide, 25
CID 44143314

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide (CID 164946014) is N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4cccc(F)c4)c(C#N)c(N)n3)cc2)cc1.
What is the InChIKey of N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is VFTFPVGRUWFDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c1-16-5-11-21(12-6-16)33(31,32)30-20-9-7-17(8-10-20)24-14-22(23(15-27)25(28)29-24)18-3-2-4-19(26)13-18/h2-14,30H,1H3,(H2,28,29).
What are the key properties of N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 458.52 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-5-cyano-4-(3-fluorophenyl)-2-pyridinyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164946014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).