N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide

C22H22N2O5S — CID 3157267

IUPACN-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccco1)CC(O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22N2O5S/c1-30(26,27)24(14-17-7-6-12-28-17)13-16(25)15-29-23-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,16,25H,13-15H2,1H3
InChIKeyPBXHGCOYJAGSPY-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.85
Rot. Bonds8

About N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide

N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 3157267) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID3157267
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccco1)CC(O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22N2O5S/c1-30(26,27)24(14-17-7-6-12-28-17)13-16(25)15-29-23-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,16,25H,13-15H2,1H3
InChIKeyPBXHGCOYJAGSPY-UHFFFAOYSA-N
XLogP2.85
TPSA92.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide (CID 3157267) is N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccco1)CC(O)CON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is PBXHGCOYJAGSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-30(26,27)24(14-17-7-6-12-28-17)13-16(25)15-29-23-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,16,25H,13-15H2,1H3.
What are the key properties of N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 426.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 3157267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).