2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide

C27H24N2O4S2 — CID 1102995

IUPAC2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCc3ccccc3)ccc1-2
InChIInChI=1S/C27H24N2O4S2/c30-34(31,28-18-20-7-3-1-4-8-20)24-11-13-26-22(16-24)15-23-17-25(12-14-27(23)26)35(32,33)29-19-21-9-5-2-6-10-21/h1-14,16-17,28-29H,15,18-19H2
InChIKeyZBYBWHSABKGIMQ-UHFFFAOYSA-N
MW504.63 g/mol
LogP4.21
Rot. Bonds8

About 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide

2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide (PubChem CID 1102995) has the molecular formula C27H24N2O4S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
PubChem CID1102995
Molecular FormulaC27H24N2O4S2
Molecular Weight504.63 g/mol
Exact Mass504.12
IUPAC Name2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCc3ccccc3)ccc1-2
InChIInChI=1S/C27H24N2O4S2/c30-34(31,28-18-20-7-3-1-4-8-20)24-11-13-26-22(16-24)15-23-17-25(12-14-27(23)26)35(32,33)29-19-21-9-5-2-6-10-21/h1-14,16-17,28-29H,15,18-19H2
InChIKeyZBYBWHSABKGIMQ-UHFFFAOYSA-N
XLogP4.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 51702797
4-amino-N-benzyl-3-bromobenzenesulfonamide
CID 62058559
2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
CID 654673
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide (CID 1102995) is 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide is O=S(=O)(NCc1ccccc1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCc3ccccc3)ccc1-2.
What is the InChIKey of 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide?
The InChIKey is ZBYBWHSABKGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S2/c30-34(31,28-18-20-7-3-1-4-8-20)24-11-13-26-22(16-24)15-23-17-25(12-14-27(23)26)35(32,33)29-19-21-9-5-2-6-10-21/h1-14,16-17,28-29H,15,18-19H2.
What are the key properties of 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide?
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide has a molecular weight of 504.63 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 1102995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).