sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate

C18H10BrN2NaO5S — CID 72705438

IUPACsodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate
SMILESO=S(=O)([O-])Oc1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O.[Na+]
InChIInChI=1S/C18H11BrN2O5S.Na/c19-8-1-2-9-10-3-4-12-17(18(10)21-13(9)5-8)11-6-15(22)16(7-14(11)20-12)26-27(23,24)25;/h1-7,20-22H,(H,23,24,25);/q;+1/p-1
InChIKeyYGGAZXONFDXNCX-UHFFFAOYSA-M
MW469.25 g/mol
LogP1.27
Rot. Bonds2

About sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate

sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate (PubChem CID 72705438) has the molecular formula C18H10BrN2NaO5S and a molecular weight of 469.25 g/mol. Its IUPAC name is sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate.

Molecular Properties

Compound Namesodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate
PubChem CID72705438
Molecular FormulaC18H10BrN2NaO5S
Molecular Weight469.25 g/mol
Exact Mass467.94
IUPAC Namesodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate
SMILESO=S(=O)([O-])Oc1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O.[Na+]
InChIInChI=1S/C18H11BrN2O5S.Na/c19-8-1-2-9-10-3-4-12-17(18(10)21-13(9)5-8)11-6-15(22)16(7-14(11)20-12)26-27(23,24)25;/h1-7,20-22H,(H,23,24,25);/q;+1/p-1
InChIKeyYGGAZXONFDXNCX-UHFFFAOYSA-M
XLogP1.27
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.25
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate?
The IUPAC name of sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate (CID 72705438) is sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate.
What is the SMILES notation for sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate?
The canonical SMILES for sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate is O=S(=O)([O-])Oc1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O.[Na+].
What is the InChIKey of sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate?
The InChIKey is YGGAZXONFDXNCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H11BrN2O5S.Na/c19-8-1-2-9-10-3-4-12-17(18(10)21-13(9)5-8)11-6-15(22)16(7-14(11)20-12)26-27(23,24)25;/h1-7,20-22H,(H,23,24,25);/q;+1/p-1.
What are the key properties of sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate?
sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate has a molecular weight of 469.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (10-bromo-2-hydroxy-5,12-dihydroindolo[2,3-g]carbazol-3-yl) sulfate is sourced from PubChem (CID 72705438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).