2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide

C23H27N3O5S2 — CID 165385489

IUPAC2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)NCC3CCC3)ccc1-2
InChIInChI=1S/C23H27N3O5S2/c27-26-23-21-11-17(32(28,29)24-13-15-3-1-4-15)7-9-19(21)20-10-8-18(12-22(20)23)33(30,31)25-14-16-5-2-6-16/h7-12,15-16,24-25,27H,1-6,13-14H2
InChIKeyHGQRZJPJGFMNQA-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.05
Rot. Bonds8

About 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide

2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide (PubChem CID 165385489) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide
PubChem CID165385489
Molecular FormulaC23H27N3O5S2
Molecular Weight489.62 g/mol
Exact Mass489.14
IUPAC Name2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)NCC3CCC3)ccc1-2
InChIInChI=1S/C23H27N3O5S2/c27-26-23-21-11-17(32(28,29)24-13-15-3-1-4-15)7-9-19(21)20-10-8-18(12-22(20)23)33(30,31)25-14-16-5-2-6-16/h7-12,15-16,24-25,27H,1-6,13-14H2
InChIKeyHGQRZJPJGFMNQA-UHFFFAOYSA-N
XLogP3.05
TPSA124.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide (CID 165385489) is 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide is O=S(=O)(NCC1CCC1)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)NCC3CCC3)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide?
The InChIKey is HGQRZJPJGFMNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c27-26-23-21-11-17(32(28,29)24-13-15-3-1-4-15)7-9-19(21)20-10-8-18(12-22(20)23)33(30,31)25-14-16-5-2-6-16/h7-12,15-16,24-25,27H,1-6,13-14H2.
What are the key properties of 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide?
2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide has a molecular weight of 489.62 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide is sourced from PubChem (CID 165385489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).