N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide

C25H21N3O6S — CID 2136131

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H21N3O6S/c1-16-6-9-19(10-7-16)35(30,31)28-27-25-20(14-17-4-2-3-5-21(17)34-25)24(29)26-18-8-11-22-23(15-18)33-13-12-32-22/h2-11,14-15,28H,12-13H2,1H3,(H,26,29)
InChIKeyRONVERZZMGLXSA-UHFFFAOYSA-N
MW491.53 g/mol
LogP3.56
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide (PubChem CID 2136131) has the molecular formula C25H21N3O6S and a molecular weight of 491.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
PubChem CID2136131
Molecular FormulaC25H21N3O6S
Molecular Weight491.53 g/mol
Exact Mass491.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H21N3O6S/c1-16-6-9-19(10-7-16)35(30,31)28-27-25-20(14-17-4-2-3-5-21(17)34-25)24(29)26-18-8-11-22-23(15-18)33-13-12-32-22/h2-11,14-15,28H,12-13H2,1H3,(H,26,29)
InChIKeyRONVERZZMGLXSA-UHFFFAOYSA-N
XLogP3.56
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 92666370
(2Z)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 46257237
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide (CID 2136131) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide is Cc1ccc(S(=O)(=O)NN=c2oc3ccccc3cc2C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The InChIKey is RONVERZZMGLXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O6S/c1-16-6-9-19(10-7-16)35(30,31)28-27-25-20(14-17-4-2-3-5-21(17)34-25)24(29)26-18-8-11-22-23(15-18)33-13-12-32-22/h2-11,14-15,28H,12-13H2,1H3,(H,26,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 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)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 2136131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).