2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide

C21H26N2O5S2 — CID 1121755

IUPAC2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1-2
InChIInChI=1S/C21H26N2O5S2/c1-20(2,3)22-29(25,26)13-7-9-15-16-10-8-14(30(27,28)23-21(4,5)6)12-18(16)19(24)17(15)11-13/h7-12,22-23H,1-6H3
InChIKeyWWHWQJZWPJAJNE-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.05
Rot. Bonds4

About 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide

2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide (PubChem CID 1121755) has the molecular formula C21H26N2O5S2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide
PubChem CID1121755
Molecular FormulaC21H26N2O5S2
Molecular Weight450.58 g/mol
Exact Mass450.13
IUPAC Name2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1-2
InChIInChI=1S/C21H26N2O5S2/c1-20(2,3)22-29(25,26)13-7-9-15-16-10-8-14(30(27,28)23-21(4,5)6)12-18(16)19(24)17(15)11-13/h7-12,22-23H,1-6H3
InChIKeyWWHWQJZWPJAJNE-UHFFFAOYSA-N
XLogP3.05
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9,10-dioxoanthracene-2,7-disulfonate
CID 3731589
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CID 795187
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
3-N,6-N-ditert-butylquinoline-3,6-disulfonamide
CID 139226948
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
N-tert-butyl-3-fluoro-4-nitrobenzenesulfonamide
CID 82844200
N-ethyl-9,10-dioxoanthracene-2-sulfonamide
CID 16832109
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
N-tert-butyl-4-chloro-3-propanoylbenzenesulfonamide
CID 70967988

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide (CID 1121755) is 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide is CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1-2.
What is the InChIKey of 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide?
The InChIKey is WWHWQJZWPJAJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S2/c1-20(2,3)22-29(25,26)13-7-9-15-16-10-8-14(30(27,28)23-21(4,5)6)12-18(16)19(24)17(15)11-13/h7-12,22-23H,1-6H3.
What are the key properties of 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide has a molecular weight of 450.58 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 1121755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).