(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide

C24H21N3O5S — CID 46257266

IUPAC(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3C)/c(=N/NS(=O)(=O)c3ccccc3)oc12
InChIInChI=1S/C24H21N3O5S/c1-16-9-6-7-13-20(16)25-23(28)19-15-17-10-8-14-21(31-2)22(17)32-24(19)26-27-33(29,30)18-11-4-3-5-12-18/h3-15,27H,1-2H3,(H,25,28)/b26-24-
InChIKeyBTRAPYUJJUOJQX-LCUIJRPUSA-N
MW463.52 g/mol
LogP3.80
Rot. Bonds6

About (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide

(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide (PubChem CID 46257266) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
PubChem CID46257266
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3C)/c(=N/NS(=O)(=O)c3ccccc3)oc12
InChIInChI=1S/C24H21N3O5S/c1-16-9-6-7-13-20(16)25-23(28)19-15-17-10-8-14-21(31-2)22(17)32-24(19)26-27-33(29,30)18-11-4-3-5-12-18/h3-15,27H,1-2H3,(H,25,28)/b26-24-
InChIKeyBTRAPYUJJUOJQX-LCUIJRPUSA-N
XLogP3.80
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 41493067
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 6893566
(2Z)-8-methoxy-N-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893598
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide
CID 6893577
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 2135796
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
CID 2135536
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide?
The IUPAC name of (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide (CID 46257266) is (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccc3C)/c(=N/NS(=O)(=O)c3ccccc3)oc12.
What is the InChIKey of (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide?
The InChIKey is BTRAPYUJJUOJQX-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-16-9-6-7-13-20(16)25-23(28)19-15-17-10-8-14-21(31-2)22(17)32-24(19)26-27-33(29,30)18-11-4-3-5-12-18/h3-15,27H,1-2H3,(H,25,28)/b26-24-.
What are the key properties of (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide?
(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 46257266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).