2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide

C25H18Cl2N2O4S2 — CID 988103

IUPAC2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc1-2
InChIInChI=1S/C25H18Cl2N2O4S2/c26-18-1-5-20(6-2-18)28-34(30,31)22-9-11-24-16(14-22)13-17-15-23(10-12-25(17)24)35(32,33)29-21-7-3-19(27)4-8-21/h1-12,14-15,28-29H,13H2
InChIKeyKLEQBAGXOPTXPK-UHFFFAOYSA-N
MW545.47 g/mol
LogP6.17
Rot. Bonds6

About 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide

2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide (PubChem CID 988103) has the molecular formula C25H18Cl2N2O4S2 and a molecular weight of 545.47 g/mol. Its IUPAC name is 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide
PubChem CID988103
Molecular FormulaC25H18Cl2N2O4S2
Molecular Weight545.47 g/mol
Exact Mass544.01
IUPAC Name2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc1-2
InChIInChI=1S/C25H18Cl2N2O4S2/c26-18-1-5-20(6-2-18)28-34(30,31)22-9-11-24-16(14-22)13-17-15-23(10-12-25(17)24)35(32,33)29-21-7-3-19(27)4-8-21/h1-12,14-15,28-29H,13H2
InChIKeyKLEQBAGXOPTXPK-UHFFFAOYSA-N
XLogP6.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.47
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide (CID 988103) is 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide?
The InChIKey is KLEQBAGXOPTXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O4S2/c26-18-1-5-20(6-2-18)28-34(30,31)22-9-11-24-16(14-22)13-17-15-23(10-12-25(17)24)35(32,33)29-21-7-3-19(27)4-8-21/h1-12,14-15,28-29H,13H2.
What are the key properties of 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide?
2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide has a molecular weight of 545.47 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(4-chlorophenyl)-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 988103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).