N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C15H12N2O6S — CID 667137

IUPACN-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-11-4-3-10(7-13(11)23-15(17)18)24(19,20)16-9-2-5-12-14(6-9)22-8-21-12/h2-7,16H,8H2,1H3
InChIKeyRMRYSPOQYWILQE-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.66
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 667137) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID667137
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C15H12N2O6S/c1-17-11-4-3-10(7-13(11)23-15(17)18)24(19,20)16-9-2-5-12-14(6-9)22-8-21-12/h2-7,16H,8H2,1H3
InChIKeyRMRYSPOQYWILQE-UHFFFAOYSA-N
XLogP1.66
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.66
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-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
1-(1,3-Benzodioxol-5-yl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 17298730
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 666207
N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372349
6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one
CID 666056
2-[6-(Azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL]-N-(3,4-dimethoxyphenyl)acetamide
CID 4226483
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
6-{[(4-Hydroxyphenyl)amino]sulfonyl}-3-methyl-3-hydrobenzoxazol-2-one
CID 1093452

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 667137) is N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is RMRYSPOQYWILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c1-17-11-4-3-10(7-13(11)23-15(17)18)24(19,20)16-9-2-5-12-14(6-9)22-8-21-12/h2-7,16H,8H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 348.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 667137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).