N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide

C20H18N4O3S — CID 113022826

IUPACN-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C#N)c3)nc2)c(C)c1
InChIInChI=1S/C20H18N4O3S/c1-14-10-18(27-2)7-8-19(14)28(25,26)24-17-6-9-20(22-13-17)23-16-5-3-4-15(11-16)12-21/h3-11,13,24H,1-2H3,(H,22,23)
InChIKeyZYHODOLKTVWCFS-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.81
Rot. Bonds6

About N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide

N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 113022826) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID113022826
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C#N)c3)nc2)c(C)c1
InChIInChI=1S/C20H18N4O3S/c1-14-10-18(27-2)7-8-19(14)28(25,26)24-17-6-9-20(22-13-17)23-16-5-3-4-15(11-16)12-21/h3-11,13,24H,1-2H3,(H,22,23)
InChIKeyZYHODOLKTVWCFS-UHFFFAOYSA-N
XLogP3.81
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(3-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019470
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012489
N-[5-(3-cyanoanilino)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113037237
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide (CID 113022826) is N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C#N)c3)nc2)c(C)c1.
What is the InChIKey of N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is ZYHODOLKTVWCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-14-10-18(27-2)7-8-19(14)28(25,26)24-17-6-9-20(22-13-17)23-16-5-3-4-15(11-16)12-21/h3-11,13,24H,1-2H3,(H,22,23).
What are the key properties of N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanoanilino)-3-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 113022826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).