N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide

C15H14N2O4S — CID 1484640

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccncc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O4S/c18-22(19,8-5-12-3-6-16-7-4-12)17-10-13-1-2-14-15(9-13)21-11-20-14/h1-9,17H,10-11H2
InChIKeyDNOIVONXZKNPJP-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.90
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide

N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide (PubChem CID 1484640) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide
PubChem CID1484640
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccncc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O4S/c18-22(19,8-5-12-3-6-16-7-4-12)17-10-13-1-2-14-15(9-13)21-11-20-14/h1-9,17H,10-11H2
InChIKeyDNOIVONXZKNPJP-UHFFFAOYSA-N
XLogP1.90
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethenesulfonamide
CID 1484581
2-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)ethenesulfonamide
CID 1484602
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
CID 591044
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)propanoic acid
CID 28514143
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401471
N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzenesulfonamide
CID 825686
N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenesulfonamide
CID 3751192
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]benzenesulfonamide
CID 171432418
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide (CID 1484640) is N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide is O=S(=O)(C=Cc1ccncc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide?
The InChIKey is DNOIVONXZKNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-22(19,8-5-12-3-6-16-7-4-12)17-10-13-1-2-14-15(9-13)21-11-20-14/h1-9,17H,10-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylethenesulfonamide is sourced from PubChem (CID 1484640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).