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

C24H23ClN2O4S — CID 2133944

IUPAC4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide
SMILESCCN(C[C@H](O)CON=C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O4S/c1-2-27(32(29,30)19-13-11-17(25)12-14-19)15-18(28)16-31-26-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,18,28H,2,15-16H2,1H3/t18-/m0/s1
InChIKeyKICXLWMTAFXBEJ-SFHVURJKSA-N
MW470.98 g/mol
LogP4.16
Rot. Bonds8

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

4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide (PubChem CID 2133944) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide
PubChem CID2133944
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC Name4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide
SMILESCCN(C[C@H](O)CON=C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O4S/c1-2-27(32(29,30)19-13-11-17(25)12-14-19)15-18(28)16-31-26-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,18,28H,2,15-16H2,1H3/t18-/m0/s1
InChIKeyKICXLWMTAFXBEJ-SFHVURJKSA-N
XLogP4.16
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2133941
4-bromo-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 12005976
N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide
CID 3157266
N-(4-bromophenyl)-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 94850901
N-[(2R)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 2151835
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 16801002
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
N-ethyl-N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 141074930
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
N-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 1300584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide (CID 2133944) is 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide is CCN(C[C@H](O)CON=C1c2ccccc2-c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is KICXLWMTAFXBEJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c1-2-27(32(29,30)19-13-11-17(25)12-14-19)15-18(28)16-31-26-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,18,28H,2,15-16H2,1H3/t18-/m0/s1.
What are the key properties of 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide?
4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 470.98 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 2133944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).