N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C16H14N4O6S — CID 18125877

IUPACN'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H14N4O6S/c21-15(9-1-4-13-14(7-9)26-6-5-25-13)19-20-27(23,24)10-2-3-11-12(8-10)18-16(22)17-11/h1-4,7-8,20H,5-6H2,(H,19,21)(H2,17,18,22)
InChIKeyBMMPRGMELJBBKM-UHFFFAOYSA-N
MW390.38 g/mol
LogP0.25
Rot. Bonds4

About N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 18125877) has the molecular formula C16H14N4O6S and a molecular weight of 390.38 g/mol. Its IUPAC name is N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID18125877
Molecular FormulaC16H14N4O6S
Molecular Weight390.38 g/mol
Exact Mass390.06
IUPAC NameN'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H14N4O6S/c21-15(9-1-4-13-14(7-9)26-6-5-25-13)19-20-27(23,24)10-2-3-11-12(8-10)18-16(22)17-11/h1-4,7-8,20H,5-6H2,(H,19,21)(H2,17,18,22)
InChIKeyBMMPRGMELJBBKM-UHFFFAOYSA-N
XLogP0.25
TPSA142.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24563390
N'-(3,4-difluorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 8523745
N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24650914
N'-[3-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47784702
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
CID 8616849
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-ethoxybenzohydrazide
CID 8617321
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
CID 8523809
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
4-bromo-1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide
CID 18125798
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 25481403

Frequently Asked Questions

What is the IUPAC name of N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 18125877) is N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is BMMPRGMELJBBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6S/c21-15(9-1-4-13-14(7-9)26-6-5-25-13)19-20-27(23,24)10-2-3-11-12(8-10)18-16(22)17-11/h1-4,7-8,20H,5-6H2,(H,19,21)(H2,17,18,22).
What are the key properties of N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 390.38 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 18125877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).