N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C21H20N4O2S — CID 113022925

IUPACN-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C21H20N4O2S/c1-15(2)17-5-10-20(11-6-17)28(26,27)25-19-9-12-21(23-14-19)24-18-7-3-16(13-22)4-8-18/h3-12,14-15,25H,1-2H3,(H,23,24)
InChIKeyGLYIFYBIYSJDKA-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.62
Rot. Bonds6

About N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113022925) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113022925
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C21H20N4O2S/c1-15(2)17-5-10-20(11-6-17)28(26,27)25-19-9-12-21(23-14-19)24-18-7-3-16(13-22)4-8-18/h3-12,14-15,25H,1-2H3,(H,23,24)
InChIKeyGLYIFYBIYSJDKA-UHFFFAOYSA-N
XLogP4.62
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
5-chloro-N-[6-(4-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022936
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
CID 113037323
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 113022925) is N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C#N)cc3)nc2)cc1.
What is the InChIKey of N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is GLYIFYBIYSJDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15(2)17-5-10-20(11-6-17)28(26,27)25-19-9-12-21(23-14-19)24-18-7-3-16(13-22)4-8-18/h3-12,14-15,25H,1-2H3,(H,23,24).
What are the key properties of N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113022925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).