N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C16H14N2O6S — CID 666207

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C16H14N2O6S/c1-18-12-4-3-11(9-14(12)24-16(18)19)25(20,21)17-10-2-5-13-15(8-10)23-7-6-22-13/h2-5,8-9,17H,6-7H2,1H3
InChIKeySUPJGTDMYALNEY-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.70
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 666207) has the molecular formula C16H14N2O6S and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID666207
Molecular FormulaC16H14N2O6S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C16H14N2O6S/c1-18-12-4-3-11(9-14(12)24-16(18)19)25(20,21)17-10-2-5-13-15(8-10)23-7-6-22-13/h2-5,8-9,17H,6-7H2,1H3
InChIKeySUPJGTDMYALNEY-UHFFFAOYSA-N
XLogP1.70
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 1264006
N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 667137
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 1843055
2-[6-(Azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL]-N-(3,4-dimethoxyphenyl)acetamide
CID 4226483
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 5307915
N-(4-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 5309599
N-(3,4-dimethoxyphenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 9550108
N-(3,4-dimethoxyphenyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
CID 51035365
N-(2-ethoxyphenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 16008901
N-(3,4-dimethoxyphenyl)-2-[2-oxo-6-(propan-2-ylsulfamoyl)-1,3-benzoxazol-3-yl]acetamide
CID 16034418
N-(3,4-dimethoxyphenyl)-3-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 16034662

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 666207) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SUPJGTDMYALNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S/c1-18-12-4-3-11(9-14(12)24-16(18)19)25(20,21)17-10-2-5-13-15(8-10)23-7-6-22-13/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 362.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 666207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).