[[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea

C24H19N7O11S2 — CID 3098885

IUPAC[[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea
SMILESNC(=O)NN=C1c2cc(S(=O)(=O)NCc3ccco3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)NCc1ccco1)cc2[N+](=O)[O-]
InChIInChI=1S/C24H19N7O11S2/c25-24(32)29-28-23-17-7-15(43(37,38)26-11-13-3-1-5-41-13)9-19(30(33)34)21(17)22-18(23)8-16(10-20(22)31(35)36)44(39,40)27-12-14-4-2-6-42-14/h1-10,26-27H,11-12H2,(H3,25,29,32)
InChIKeyWJWOVWUKNKVWSF-UHFFFAOYSA-N
MW645.59 g/mol
LogP2.05
Rot. Bonds11

About [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea

[[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea (PubChem CID 3098885) has the molecular formula C24H19N7O11S2 and a molecular weight of 645.59 g/mol. Its IUPAC name is [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea.

Molecular Properties

Compound Name[[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea
PubChem CID3098885
Molecular FormulaC24H19N7O11S2
Molecular Weight645.59 g/mol
Exact Mass645.06
IUPAC Name[[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea
SMILESNC(=O)NN=C1c2cc(S(=O)(=O)NCc3ccco3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)NCc1ccco1)cc2[N+](=O)[O-]
InChIInChI=1S/C24H19N7O11S2/c25-24(32)29-28-23-17-7-15(43(37,38)26-11-13-3-1-5-41-13)9-19(30(33)34)21(17)22-18(23)8-16(10-20(22)31(35)36)44(39,40)27-12-14-4-2-6-42-14/h1-10,26-27H,11-12H2,(H3,25,29,32)
InChIKeyWJWOVWUKNKVWSF-UHFFFAOYSA-N
XLogP2.05
TPSA272.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.59
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea?
The IUPAC name of [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea (CID 3098885) is [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea.
What is the SMILES notation for [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea?
The canonical SMILES for [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea is NC(=O)NN=C1c2cc(S(=O)(=O)NCc3ccco3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)NCc1ccco1)cc2[N+](=O)[O-].
What is the InChIKey of [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea?
The InChIKey is WJWOVWUKNKVWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O11S2/c25-24(32)29-28-23-17-7-15(43(37,38)26-11-13-3-1-5-41-13)9-19(30(33)34)21(17)22-18(23)8-16(10-20(22)31(35)36)44(39,40)27-12-14-4-2-6-42-14/h1-10,26-27H,11-12H2,(H3,25,29,32).
What are the key properties of [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea?
[[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea has a molecular weight of 645.59 g/mol, XLogP of 2.05, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,7-bis(furan-2-ylmethylsulfamoyl)-4,5-dinitrofluoren-9-ylidene]amino]urea is sourced from PubChem (CID 3098885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).