2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide

C21H26N2O5S2 — CID 1099227

IUPAC2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1-2
InChIInChI=1S/C21H26N2O5S2/c1-5-22(6-2)29(25,26)15-9-11-17-18-12-10-16(30(27,28)23(7-3)8-4)14-20(18)21(24)19(17)13-15/h9-14H,5-8H2,1-4H3
InChIKeyOMPGAXGMWHXJKJ-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.96
Rot. Bonds8

About 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide

2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide (PubChem CID 1099227) has the molecular formula C21H26N2O5S2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide
PubChem CID1099227
Molecular FormulaC21H26N2O5S2
Molecular Weight450.58 g/mol
Exact Mass450.13
IUPAC Name2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1-2
InChIInChI=1S/C21H26N2O5S2/c1-5-22(6-2)29(25,26)15-9-11-17-18-12-10-16(30(27,28)23(7-3)8-4)14-20(18)21(24)19(17)13-15/h9-14H,5-8H2,1-4H3
InChIKeyOMPGAXGMWHXJKJ-UHFFFAOYSA-N
XLogP2.96
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide (CID 1099227) is 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1-2.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide?
The InChIKey is OMPGAXGMWHXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S2/c1-5-22(6-2)29(25,26)15-9-11-17-18-12-10-16(30(27,28)23(7-3)8-4)14-20(18)21(24)19(17)13-15/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide?
2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide has a molecular weight of 450.58 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetraethyl-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 1099227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).