N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide

C20H19N3O4S — CID 113012037

IUPACN-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C20H19N3O4S/c1-23(13-15-5-3-2-4-6-15)20-10-7-16(12-21-20)22-28(24,25)17-8-9-18-19(11-17)27-14-26-18/h2-12,22H,13-14H2,1H3
InChIKeyROXOCAVXZDCZJO-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.25
Rot. Bonds6

About N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide

N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113012037) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113012037
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C20H19N3O4S/c1-23(13-15-5-3-2-4-6-15)20-10-7-16(12-21-20)22-28(24,25)17-8-9-18-19(11-17)27-14-26-18/h2-12,22H,13-14H2,1H3
InChIKeyROXOCAVXZDCZJO-UHFFFAOYSA-N
XLogP3.25
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[benzyl(methyl)amino]-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

6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide
CID 17407119
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012046
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009951
N-(1,3-benzodioxol-5-yl)-2-[benzyl(methyl)amino]pyrimidine-5-carboxamide
CID 109256853
2-N-(1,3-benzodioxol-5-yl)-4-N-benzyl-4-N-methylpyrimidine-2,4-diamine
CID 112890926
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
N-[4-(benzylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112981976
3-N-(1,3-benzodioxol-5-yl)-5-N-benzyl-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949343
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016930

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (CID 113012037) is N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is ROXOCAVXZDCZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-23(13-15-5-3-2-4-6-15)20-10-7-16(12-21-20)22-28(24,25)17-8-9-18-19(11-17)27-14-26-18/h2-12,22H,13-14H2,1H3.
What are the key properties of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113012037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).