6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide

C19H18N4O4S — CID 17407119

IUPAC6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide
SMILESCN(Cc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)Nc2ccccn2)cn1
InChIInChI=1S/C19H18N4O4S/c1-23(12-14-5-7-16-17(10-14)27-13-26-16)19-8-6-15(11-21-19)28(24,25)22-18-4-2-3-9-20-18/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyYOSSQCGXIZHAQY-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.64
Rot. Bonds6

About 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide

6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide (PubChem CID 17407119) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide
PubChem CID17407119
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide
SMILESCN(Cc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)Nc2ccccn2)cn1
InChIInChI=1S/C19H18N4O4S/c1-23(12-14-5-7-16-17(10-14)27-13-26-16)19-8-6-15(11-21-19)28(24,25)22-18-4-2-3-9-20-18/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyYOSSQCGXIZHAQY-UHFFFAOYSA-N
XLogP2.64
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[benzyl(methyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113012037
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridine-3-sulfonamide
CID 133385875
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyridine-3-sulfonamide
CID 18133007
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 6487075
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 32682402
2-(ethylamino)-N-pyridin-2-ylpyrimidine-5-sulfonamide
CID 62149006
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110868216

Frequently Asked Questions

What is the IUPAC name of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide (CID 17407119) is 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide is CN(Cc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)Nc2ccccn2)cn1.
What is the InChIKey of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide?
The InChIKey is YOSSQCGXIZHAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-23(12-14-5-7-16-17(10-14)27-13-26-16)19-8-6-15(11-21-19)28(24,25)22-18-4-2-3-9-20-18/h2-11H,12-13H2,1H3,(H,20,22).
What are the key properties of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide?
6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide has a molecular weight of 398.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 17407119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).