4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide

C16H15N3O7S — CID 47091237

IUPAC4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15N3O7S/c17-27(22,23)12-4-2-11(3-5-12)24-8-15(20)18-19-16(21)10-1-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyJAWSXKUPQBBVDE-UHFFFAOYSA-N
MW393.38 g/mol
LogP-0.10
Rot. Bonds5

About 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide

4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide (PubChem CID 47091237) has the molecular formula C16H15N3O7S and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide
PubChem CID47091237
Molecular FormulaC16H15N3O7S
Molecular Weight393.38 g/mol
Exact Mass393.06
IUPAC Name4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15N3O7S/c17-27(22,23)12-4-2-11(3-5-12)24-8-15(20)18-19-16(21)10-1-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyJAWSXKUPQBBVDE-UHFFFAOYSA-N
XLogP-0.10
TPSA146.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 18159216
N'-[2-(4-phenylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2094448
N'-[4-(4-methoxyphenoxy)butanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9400933
5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-methylbenzenesulfonamide
CID 9084706
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9400374
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24543065
2-(1,3-benzodioxol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 110767399
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9400978
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide (CID 47091237) is 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide?
The InChIKey is JAWSXKUPQBBVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O7S/c17-27(22,23)12-4-2-11(3-5-12)24-8-15(20)18-19-16(21)10-1-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H,18,20)(H,19,21)(H2,17,22,23).
What are the key properties of 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide?
4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide has a molecular weight of 393.38 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 47091237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).