(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide

C23H18FN3O5S — CID 41493067

IUPAC(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3F)/c(=N\NS(=O)(=O)c3ccccc3)oc12
InChIInChI=1S/C23H18FN3O5S/c1-31-20-13-7-8-15-14-17(22(28)25-19-12-6-5-11-18(19)24)23(32-21(15)20)26-27-33(29,30)16-9-3-2-4-10-16/h2-14,27H,1H3,(H,25,28)/b26-23+
InChIKeyKDBPTDKHAYWRRY-WNAAXNPUSA-N
MW467.48 g/mol
LogP3.63
Rot. Bonds6

About (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide

(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide (PubChem CID 41493067) has the molecular formula C23H18FN3O5S and a molecular weight of 467.48 g/mol. Its IUPAC name is (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
PubChem CID41493067
Molecular FormulaC23H18FN3O5S
Molecular Weight467.48 g/mol
Exact Mass467.10
IUPAC Name(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3F)/c(=N\NS(=O)(=O)c3ccccc3)oc12
InChIInChI=1S/C23H18FN3O5S/c1-31-20-13-7-8-15-14-17(22(28)25-19-12-6-5-11-18(19)24)23(32-21(15)20)26-27-33(29,30)16-9-3-2-4-10-16/h2-14,27H,1H3,(H,25,28)/b26-23+
InChIKeyKDBPTDKHAYWRRY-WNAAXNPUSA-N
XLogP3.63
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.63
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

(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
CID 46257266
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
CID 2135536
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-8-methoxy-N-(3-methylphenyl)chromene-3-carboxamide
CID 6893577
(2Z)-8-methoxy-N-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893598
4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
CID 4068461
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340
(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 6893566
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 997934

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide?
The IUPAC name of (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide (CID 41493067) is (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide.
What is the SMILES notation for (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide?
The canonical SMILES for (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccc3F)/c(=N\NS(=O)(=O)c3ccccc3)oc12.
What is the InChIKey of (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide?
The InChIKey is KDBPTDKHAYWRRY-WNAAXNPUSA-N. The full InChI is InChI=1S/C23H18FN3O5S/c1-31-20-13-7-8-15-14-17(22(28)25-19-12-6-5-11-18(19)24)23(32-21(15)20)26-27-33(29,30)16-9-3-2-4-10-16/h2-14,27H,1H3,(H,25,28)/b26-23+.
What are the key properties of (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide?
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 41493067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).