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

C17H18N2O5S2 — CID 1102992

IUPAC2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCC)ccc1-2
InChIInChI=1S/C17H18N2O5S2/c1-3-18-25(21,22)11-5-7-13-14-8-6-12(26(23,24)19-4-2)10-16(14)17(20)15(13)9-11/h5-10,18-19H,3-4H2,1-2H3
InChIKeyCGIUTHUYCSIWBD-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.49
Rot. Bonds6

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

2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide (PubChem CID 1102992) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide
PubChem CID1102992
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC Name2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCC)ccc1-2
InChIInChI=1S/C17H18N2O5S2/c1-3-18-25(21,22)11-5-7-13-14-8-6-12(26(23,24)19-4-2)10-16(14)17(20)15(13)9-11/h5-10,18-19H,3-4H2,1-2H3
InChIKeyCGIUTHUYCSIWBD-UHFFFAOYSA-N
XLogP1.49
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide (CID 1102992) is 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide is CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCC)ccc1-2.
What is the InChIKey of 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide?
The InChIKey is CGIUTHUYCSIWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-3-18-25(21,22)11-5-7-13-14-8-6-12(26(23,24)19-4-2)10-16(14)17(20)15(13)9-11/h5-10,18-19H,3-4H2,1-2H3.
What are the key properties of 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide has a molecular weight of 394.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-diethyl-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 1102992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).