N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide

C14H14N2O4S — CID 110724502

IUPACN-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCO2)c1cccnc1
InChIInChI=1S/C14H14N2O4S/c1-10(11-3-2-6-15-8-11)16-21(17,18)12-4-5-13-14(7-12)20-9-19-13/h2-8,10,16H,9H2,1H3
InChIKeyUAKNGDCYOPGWRN-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.85
Rot. Bonds4

About N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide

N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110724502) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110724502
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCO2)c1cccnc1
InChIInChI=1S/C14H14N2O4S/c1-10(11-3-2-6-15-8-11)16-21(17,18)12-4-5-13-14(7-12)20-9-19-13/h2-8,10,16H,9H2,1H3
InChIKeyUAKNGDCYOPGWRN-UHFFFAOYSA-N
XLogP1.85
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
4-amino-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9462686
3-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523805
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
(2S)-2-(1,3-benzodioxol-5-ylsulfonylamino)-2-phenyl-N-propan-2-ylacetamide
CID 110286688
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide (CID 110724502) is N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)OCO2)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is UAKNGDCYOPGWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10(11-3-2-6-15-8-11)16-21(17,18)12-4-5-13-14(7-12)20-9-19-13/h2-8,10,16H,9H2,1H3.
What are the key properties of N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide?
N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 306.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110724502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).