2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide

C23H30N2O5S2 — CID 1101526

IUPAC2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1-2
InChIInChI=1S/C23H30N2O5S2/c1-15(2)9-11-24-31(27,28)17-5-7-19-20-8-6-18(14-22(20)23(26)21(19)13-17)32(29,30)25-12-10-16(3)4/h5-8,13-16,24-25H,9-12H2,1-4H3
InChIKeyGDQGEKWLRCKEMY-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.55
Rot. Bonds10

About 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide

2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide (PubChem CID 1101526) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide
PubChem CID1101526
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Name2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1-2
InChIInChI=1S/C23H30N2O5S2/c1-15(2)9-11-24-31(27,28)17-5-7-19-20-8-6-18(14-22(20)23(26)21(19)13-17)32(29,30)25-12-10-16(3)4/h5-8,13-16,24-25H,9-12H2,1-4H3
InChIKeyGDQGEKWLRCKEMY-UHFFFAOYSA-N
XLogP3.55
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide (CID 1101526) is 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide is CC(C)CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide?
The InChIKey is GDQGEKWLRCKEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-15(2)9-11-24-31(27,28)17-5-7-19-20-8-6-18(14-22(20)23(26)21(19)13-17)32(29,30)25-12-10-16(3)4/h5-8,13-16,24-25H,9-12H2,1-4H3.
What are the key properties of 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide has a molecular weight of 478.64 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(3-methylbutyl)-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 1101526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).