4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C27H23ClN2O5S — CID 2133941

IUPAC4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)C[C@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23ClN2O5S/c28-19-11-13-22(14-12-19)36(32,33)30(17-21-6-5-15-34-21)16-20(31)18-35-29-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-15,20,31H,16-18H2/t20-/m0/s1
InChIKeyADYDBUUYYYWSAO-FQEVSTJZSA-N
MW523.01 g/mol
LogP4.93
Rot. Bonds9

About 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide

4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2133941) has the molecular formula C27H23ClN2O5S and a molecular weight of 523.01 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2133941
Molecular FormulaC27H23ClN2O5S
Molecular Weight523.01 g/mol
Exact Mass522.10
IUPAC Name4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)C[C@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23ClN2O5S/c28-19-11-13-22(14-12-19)36(32,33)30(17-21-6-5-15-34-21)16-20(31)18-35-29-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-15,20,31H,16-18H2/t20-/m0/s1
InChIKeyADYDBUUYYYWSAO-FQEVSTJZSA-N
XLogP4.93
TPSA92.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.01
LogP ≤ 54.93
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 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2133941) is 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)C[C@H](O)CON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is ADYDBUUYYYWSAO-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H23ClN2O5S/c28-19-11-13-22(14-12-19)36(32,33)30(17-21-6-5-15-34-21)16-20(31)18-35-29-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-15,20,31H,16-18H2/t20-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 523.01 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2133941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).