2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide

C19H22N2O7S2 — CID 991359

IUPAC2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)CCO)ccc1-2
InChIInChI=1S/C19H22N2O7S2/c1-20(7-9-22)29(25,26)13-3-5-15-16-6-4-14(30(27,28)21(2)8-10-23)12-18(16)19(24)17(15)11-13/h3-6,11-12,22-23H,7-10H2,1-2H3
InChIKeyPHJPLNYIGUNYLL-UHFFFAOYSA-N
MW454.53 g/mol
LogP0.12
Rot. Bonds8

About 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide

2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide (PubChem CID 991359) has the molecular formula C19H22N2O7S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide
PubChem CID991359
Molecular FormulaC19H22N2O7S2
Molecular Weight454.53 g/mol
Exact Mass454.09
IUPAC Name2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)CCO)ccc1-2
InChIInChI=1S/C19H22N2O7S2/c1-20(7-9-22)29(25,26)13-3-5-15-16-6-4-14(30(27,28)21(2)8-10-23)12-18(16)19(24)17(15)11-13/h3-6,11-12,22-23H,7-10H2,1-2H3
InChIKeyPHJPLNYIGUNYLL-UHFFFAOYSA-N
XLogP0.12
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide (CID 991359) is 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide is CN(CCO)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)CCO)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide?
The InChIKey is PHJPLNYIGUNYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S2/c1-20(7-9-22)29(25,26)13-3-5-15-16-6-4-14(30(27,28)21(2)8-10-23)12-18(16)19(24)17(15)11-13/h3-6,11-12,22-23H,7-10H2,1-2H3.
What are the key properties of 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide has a molecular weight of 454.53 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(2-hydroxyethyl)-2-N,7-N-dimethyl-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 991359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).