N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide

C27H18N2O7S2 — CID 2294379

IUPACN-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(=O)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C27H18N2O7S2/c30-25-23-15-19(37(33,34)28-26(31)17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)38(35,36)29-27(32)18-9-5-2-6-10-18/h1-16H,(H,28,31)(H,29,32)
InChIKeyGFJNQWKAHKQNBW-UHFFFAOYSA-N
MW546.58 g/mol
LogP3.14
Rot. Bonds6

About N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide

N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide (PubChem CID 2294379) has the molecular formula C27H18N2O7S2 and a molecular weight of 546.58 g/mol. Its IUPAC name is N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide
PubChem CID2294379
Molecular FormulaC27H18N2O7S2
Molecular Weight546.58 g/mol
Exact Mass546.06
IUPAC NameN-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(=O)c3ccccc3)ccc1-2)c1ccccc1
InChIInChI=1S/C27H18N2O7S2/c30-25-23-15-19(37(33,34)28-26(31)17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)38(35,36)29-27(32)18-9-5-2-6-10-18/h1-16H,(H,28,31)(H,29,32)
InChIKeyGFJNQWKAHKQNBW-UHFFFAOYSA-N
XLogP3.14
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.58
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide?
The IUPAC name of N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide (CID 2294379) is N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide.
What is the SMILES notation for N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide?
The canonical SMILES for N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC(=O)c3ccccc3)ccc1-2)c1ccccc1.
What is the InChIKey of N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide?
The InChIKey is GFJNQWKAHKQNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O7S2/c30-25-23-15-19(37(33,34)28-26(31)17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)38(35,36)29-27(32)18-9-5-2-6-10-18/h1-16H,(H,28,31)(H,29,32).
What are the key properties of N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide?
N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide has a molecular weight of 546.58 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(benzoylsulfamoyl)-9-oxofluoren-2-yl]sulfonylbenzamide is sourced from PubChem (CID 2294379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).