2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate

C27H19N2O8S2- — CID 23436602

IUPAC2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate
SMILESO=C([O-])C=C1c2cc(S(=O)(=O)Nc3cccc(O)c3)ccc2-c2ccc(S(=O)(=O)Nc3cccc(O)c3)cc21
InChIInChI=1S/C27H20N2O8S2/c30-18-5-1-3-16(11-18)28-38(34,35)20-7-9-22-23-10-8-21(14-25(23)26(15-27(32)33)24(22)13-20)39(36,37)29-17-4-2-6-19(31)12-17/h1-15,28-31H,(H,32,33)/p-1
InChIKeyAFIUQCPKFOFNKG-UHFFFAOYSA-M
MW563.59 g/mol
LogP2.86
Rot. Bonds7

About 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate

2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate (PubChem CID 23436602) has the molecular formula C27H19N2O8S2- and a molecular weight of 563.59 g/mol. Its IUPAC name is 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate.

Molecular Properties

Compound Name2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate
PubChem CID23436602
Molecular FormulaC27H19N2O8S2-
Molecular Weight563.59 g/mol
Exact Mass563.06
IUPAC Name2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate
SMILESO=C([O-])C=C1c2cc(S(=O)(=O)Nc3cccc(O)c3)ccc2-c2ccc(S(=O)(=O)Nc3cccc(O)c3)cc21
InChIInChI=1S/C27H20N2O8S2/c30-18-5-1-3-16(11-18)28-38(34,35)20-7-9-22-23-10-8-21(14-25(23)26(15-27(32)33)24(22)13-20)39(36,37)29-17-4-2-6-19(31)12-17/h1-15,28-31H,(H,32,33)/p-1
InChIKeyAFIUQCPKFOFNKG-UHFFFAOYSA-M
XLogP2.86
TPSA172.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.59
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
CID 110454372
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate?
The IUPAC name of 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate (CID 23436602) is 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate.
What is the SMILES notation for 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate?
The canonical SMILES for 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate is O=C([O-])C=C1c2cc(S(=O)(=O)Nc3cccc(O)c3)ccc2-c2ccc(S(=O)(=O)Nc3cccc(O)c3)cc21.
What is the InChIKey of 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate?
The InChIKey is AFIUQCPKFOFNKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H20N2O8S2/c30-18-5-1-3-16(11-18)28-38(34,35)20-7-9-22-23-10-8-21(14-25(23)26(15-27(32)33)24(22)13-20)39(36,37)29-17-4-2-6-19(31)12-17/h1-15,28-31H,(H,32,33)/p-1.
What are the key properties of 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate?
2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate has a molecular weight of 563.59 g/mol, XLogP of 2.86, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate is sourced from PubChem (CID 23436602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).