N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H19NO6S — CID 110663406

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cccc(C(O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H19NO6S/c1-22-13-4-2-3-12(9-13)15(19)11-18-25(20,21)14-5-6-16-17(10-14)24-8-7-23-16/h2-6,9-10,15,18-19H,7-8,11H2,1H3
InChIKeyNWOFOFDOTISGPQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.48
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110663406) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110663406
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cccc(C(O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H19NO6S/c1-22-13-4-2-3-12(9-13)15(19)11-18-25(20,21)14-5-6-16-17(10-14)24-8-7-23-16/h2-6,9-10,15,18-19H,7-8,11H2,1H3
InChIKeyNWOFOFDOTISGPQ-UHFFFAOYSA-N
XLogP1.48
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110279885
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 124727871
3-chloro-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-4-fluorobenzenesulfonamide
CID 124759644
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methoxypropanoic acid
CID 104936736
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 811934
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344702
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 110663391
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol
CID 61087862
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 63299069
3-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-4-methoxybenzenesulfonamide
CID 97105738
N-(3-amino-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55102421

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110663406) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1cccc(C(O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is NWOFOFDOTISGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-22-13-4-2-3-12(9-13)15(19)11-18-25(20,21)14-5-6-16-17(10-14)24-8-7-23-16/h2-6,9-10,15,18-19H,7-8,11H2,1H3.
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 365.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110663406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).