5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate

C19H13N2O6S- — CID 3155195

IUPAC5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
SMILESO=C(NN=Cc1ccc(S(=O)(=O)[O-])o1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14N2O6S/c22-19(21-20-11-12-9-10-17(26-12)28(23,24)25)18-13-5-1-3-7-15(13)27-16-8-4-2-6-14(16)18/h1-11,18H,(H,21,22)(H,23,24,25)/p-1
InChIKeyXHQHAPTUMPYPEQ-UHFFFAOYSA-M
MW397.39 g/mol
LogP2.57
Rot. Bonds4

About 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate

5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate (PubChem CID 3155195) has the molecular formula C19H13N2O6S- and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate.

Molecular Properties

Compound Name5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
PubChem CID3155195
Molecular FormulaC19H13N2O6S-
Molecular Weight397.39 g/mol
Exact Mass397.05
IUPAC Name5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
SMILESO=C(NN=Cc1ccc(S(=O)(=O)[O-])o1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14N2O6S/c22-19(21-20-11-12-9-10-17(26-12)28(23,24)25)18-13-5-1-3-7-15(13)27-16-8-4-2-6-14(16)18/h1-11,18H,(H,21,22)(H,23,24,25)/p-1
InChIKeyXHQHAPTUMPYPEQ-UHFFFAOYSA-M
XLogP2.57
TPSA121.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 7256296
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 95395767
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371400
N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371403
sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
CID 171151438
3-[5-[(E)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 19577680
sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 74084471
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 51653658
sodium 5-[[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 171151557
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135578951
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135643720
sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171151497

Frequently Asked Questions

What is the IUPAC name of 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate?
The IUPAC name of 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate (CID 3155195) is 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate.
What is the SMILES notation for 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate?
The canonical SMILES for 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate is O=C(NN=Cc1ccc(S(=O)(=O)[O-])o1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate?
The InChIKey is XHQHAPTUMPYPEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14N2O6S/c22-19(21-20-11-12-9-10-17(26-12)28(23,24)25)18-13-5-1-3-7-15(13)27-16-8-4-2-6-14(16)18/h1-11,18H,(H,21,22)(H,23,24,25)/p-1.
What are the key properties of 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate?
5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate has a molecular weight of 397.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate is sourced from PubChem (CID 3155195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).