N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide

C20H19N3O4S — CID 113016930

IUPACN-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESCc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCO4)cn2)c1
InChIInChI=1S/C20H19N3O4S/c1-13-3-4-14(2)17(9-13)22-20-8-5-15(11-21-20)23-28(24,25)16-6-7-18-19(10-16)27-12-26-18/h3-11,23H,12H2,1-2H3,(H,21,22)
InChIKeyHGXQPDAYEGWDEV-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.97
Rot. Bonds5

About N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide

N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113016930) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113016930
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESCc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCO4)cn2)c1
InChIInChI=1S/C20H19N3O4S/c1-13-3-4-14(2)17(9-13)22-20-8-5-15(11-21-20)23-28(24,25)16-6-7-18-19(10-16)27-12-26-18/h3-11,23H,12H2,1-2H3,(H,21,22)
InChIKeyHGXQPDAYEGWDEV-UHFFFAOYSA-N
XLogP3.97
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113032001
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009951
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398817

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (CID 113016930) is N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is Cc1ccc(C)c(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCO4)cn2)c1.
What is the InChIKey of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is HGXQPDAYEGWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13-3-4-14(2)17(9-13)22-20-8-5-15(11-21-20)23-28(24,25)16-6-7-18-19(10-16)27-12-26-18/h3-11,23H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113016930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).