N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H16N2O6S — CID 141414508

IUPACN-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cc2onc(C)c2cc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16N2O6S/c1-10-12-8-13(16(22-2)9-15(12)25-18-10)19-26(20,21)11-3-4-14-17(7-11)24-6-5-23-14/h3-4,7-9,19H,5-6H2,1-2H3
InChIKeyQUXYPQRIAYMNEF-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.72
Rot. Bonds4

About N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 141414508) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID141414508
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC NameN-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cc2onc(C)c2cc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16N2O6S/c1-10-12-8-13(16(22-2)9-15(12)25-18-10)19-26(20,21)11-3-4-14-17(7-11)24-6-5-23-14/h3-4,7-9,19H,5-6H2,1-2H3
InChIKeyQUXYPQRIAYMNEF-UHFFFAOYSA-N
XLogP2.72
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938312
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6499996
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122322978
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-4-nitrobenzenesulfonamide
CID 141414514
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968636
N-(2,4-dimethoxypyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122304201

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 141414508) is N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1cc2onc(C)c2cc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is QUXYPQRIAYMNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-10-12-8-13(16(22-2)9-15(12)25-18-10)19-26(20,21)11-3-4-14-17(7-11)24-6-5-23-14/h3-4,7-9,19H,5-6H2,1-2H3.
What are the key properties of N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 376.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 141414508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).