N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide

C15H16N2O5S — CID 124727871

IUPACN-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1cccnc1
InChIInChI=1S/C15H16N2O5S/c18-13(10-17-23(19,20)12-2-1-5-16-9-12)11-3-4-14-15(8-11)22-7-6-21-14/h1-5,8-9,13,17-18H,6-7,10H2/t13-/m1/s1
InChIKeyUPMKAFFIWISCQR-CYBMUJFWSA-N
MW336.37 g/mol
LogP0.86
Rot. Bonds5

About N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide

N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide (PubChem CID 124727871) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
PubChem CID124727871
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1cccnc1
InChIInChI=1S/C15H16N2O5S/c18-13(10-17-23(19,20)12-2-1-5-16-9-12)11-3-4-14-15(8-11)22-7-6-21-14/h1-5,8-9,13,17-18H,6-7,10H2/t13-/m1/s1
InChIKeyUPMKAFFIWISCQR-CYBMUJFWSA-N
XLogP0.86
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 43461535
3-chloro-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-4-fluorobenzenesulfonamide
CID 124759644
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110279885
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110663406
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1-methylimidazole-4-sulfonamide
CID 119099582
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]pyridine-3-sulfonamide
CID 126852746
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phosphanylamino)ethanol
CID 155152100
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9158074
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol
CID 55110743
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]benzamide
CID 119099537

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide (CID 124727871) is N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide is O=S(=O)(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1cccnc1.
What is the InChIKey of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The InChIKey is UPMKAFFIWISCQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O5S/c18-13(10-17-23(19,20)12-2-1-5-16-9-12)11-3-4-14-15(8-11)22-7-6-21-14/h1-5,8-9,13,17-18H,6-7,10H2/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide?
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide has a molecular weight of 336.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 124727871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).