disodium;9H-fluorene-2,7-disulfonate

C13H8Na2O6S2 — CID 21178460

IUPACdisodium;9H-fluorene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(c1)Cc1cc(S(=O)(=O)[O-])ccc1-2.[Na+].[Na+]
InChIInChI=1S/C13H10O6S2.2Na/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12;;/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2
InChIKeyJMVPQOKGYBYQHO-UHFFFAOYSA-L
MW370.32 g/mol
LogP-4.93
Rot. Bonds2

About disodium;9H-fluorene-2,7-disulfonate

disodium;9H-fluorene-2,7-disulfonate (PubChem CID 21178460) has the molecular formula C13H8Na2O6S2 and a molecular weight of 370.32 g/mol. Its IUPAC name is disodium;9H-fluorene-2,7-disulfonate.

Molecular Properties

Compound Namedisodium;9H-fluorene-2,7-disulfonate
PubChem CID21178460
Molecular FormulaC13H8Na2O6S2
Molecular Weight370.32 g/mol
Exact Mass369.96
IUPAC Namedisodium;9H-fluorene-2,7-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(c1)Cc1cc(S(=O)(=O)[O-])ccc1-2.[Na+].[Na+]
InChIInChI=1S/C13H10O6S2.2Na/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12;;/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2
InChIKeyJMVPQOKGYBYQHO-UHFFFAOYSA-L
XLogP-4.93
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 5-4.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium bicyclo[4.1.0]hepta-1(6),2,4-triene-3-sulfonate
CID 172838674
CID 88515722
CID 88515722
tetrasodium;25,26,27,28-tetrahydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonate
CID 14359484
2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 1154512
sodium 5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonate
CID 23705998
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
2-N,7-N-bis(4-bromophenyl)-9H-fluorene-2,7-disulfonamide
CID 3112211
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
9,10-dioxoanthracene-2,7-disulfonate
CID 3731589
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
CID 654673
10-oxo-9H-anthracene-2,6-disulfonic acid
CID 169091723

Frequently Asked Questions

What is the IUPAC name of disodium;9H-fluorene-2,7-disulfonate?
The IUPAC name of disodium;9H-fluorene-2,7-disulfonate (CID 21178460) is disodium;9H-fluorene-2,7-disulfonate.
What is the SMILES notation for disodium;9H-fluorene-2,7-disulfonate?
The canonical SMILES for disodium;9H-fluorene-2,7-disulfonate is O=S(=O)([O-])c1ccc2c(c1)Cc1cc(S(=O)(=O)[O-])ccc1-2.[Na+].[Na+].
What is the InChIKey of disodium;9H-fluorene-2,7-disulfonate?
The InChIKey is JMVPQOKGYBYQHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10O6S2.2Na/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12;;/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2.
What are the key properties of disodium;9H-fluorene-2,7-disulfonate?
disodium;9H-fluorene-2,7-disulfonate has a molecular weight of 370.32 g/mol, XLogP of -4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;9H-fluorene-2,7-disulfonate is sourced from PubChem (CID 21178460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).