N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide

C15H15N3O5S — CID 22203272

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1OC
InChIInChI=1S/C15H15N3O5S/c1-21-12-7-6-10(8-13(12)22-2)9-16-24(19,20)14-5-3-4-11-15(14)18-23-17-11/h3-8,16H,9H2,1-2H3
InChIKeyGGFTYLGKMGUGDF-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.72
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 22203272) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID22203272
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1OC
InChIInChI=1S/C15H15N3O5S/c1-21-12-7-6-10(8-13(12)22-2)9-16-24(19,20)14-5-3-4-11-15(14)18-23-17-11/h3-8,16H,9H2,1-2H3
InChIKeyGGFTYLGKMGUGDF-UHFFFAOYSA-N
XLogP1.72
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206214
N-[(4-methoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 19680703
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206227
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
CID 140534314
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 58859297
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 4243804
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
N-octyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 19681346
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide
CID 167951708

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 22203272) is N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide is COc1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is GGFTYLGKMGUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-21-12-7-6-10(8-13(12)22-2)9-16-24(19,20)14-5-3-4-11-15(14)18-23-17-11/h3-8,16H,9H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 349.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 22203272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).