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

C24H24N2O4S — CID 3157266

IUPACN-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)CC(O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H24N2O4S/c1-31(28,29)26(15-18-9-3-2-4-10-18)16-19(27)17-30-25-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,19,27H,15-17H2,1H3
InChIKeyMTHIUEDEPMWVES-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.26
Rot. Bonds8

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

N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide (PubChem CID 3157266) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide
PubChem CID3157266
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)CC(O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H24N2O4S/c1-31(28,29)26(15-18-9-3-2-4-10-18)16-19(27)17-30-25-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,19,27H,15-17H2,1H3
InChIKeyMTHIUEDEPMWVES-UHFFFAOYSA-N
XLogP3.26
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.26
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

N-[(2R)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 2151835
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(4-fluorophenyl)methanesulfonamide
CID 3157264
4-bromo-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 12005976
4-chloro-N-[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2133941
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 16801002
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
ethyl 2-[4-[3-[benzyl(methylsulfonyl)amino]-2-hydroxypropyl]-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 15299098
N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide
CID 101497565
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 57267401
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 7730801
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide (CID 3157266) is N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)CC(O)CON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide?
The InChIKey is MTHIUEDEPMWVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-31(28,29)26(15-18-9-3-2-4-10-18)16-19(27)17-30-25-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,19,27H,15-17H2,1H3.
What are the key properties of N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide?
N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide has a molecular weight of 436.53 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 3157266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).