N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

C16H24N2O6S — CID 123230755

IUPACN-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2OC(C)C(NO)C(O)C2=O)c(C)c1
InChIInChI=1S/C16H24N2O6S/c1-8-5-9(2)16(10(3)6-8)25(22,23)17-7-12-14(19)15(20)13(18-21)11(4)24-12/h5-6,11-13,15,17-18,20-21H,7H2,1-4H3
InChIKeyIEHNGOKUHDQTQU-UHFFFAOYSA-N
MW372.44 g/mol
LogP-0.05
Rot. Bonds5

About N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 123230755) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID123230755
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC NameN-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2OC(C)C(NO)C(O)C2=O)c(C)c1
InChIInChI=1S/C16H24N2O6S/c1-8-5-9(2)16(10(3)6-8)25(22,23)17-7-12-14(19)15(20)13(18-21)11(4)24-12/h5-6,11-13,15,17-18,20-21H,7H2,1-4H3
InChIKeyIEHNGOKUHDQTQU-UHFFFAOYSA-N
XLogP-0.05
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl]benzenesulfonamide
CID 123539226
2,4,6-trimethyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710173
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 67575461
N-[(3-hydroxycyclopentyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 103270305
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008

Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 123230755) is N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2OC(C)C(NO)C(O)C2=O)c(C)c1.
What is the InChIKey of N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is IEHNGOKUHDQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-8-5-9(2)16(10(3)6-8)25(22,23)17-7-12-14(19)15(20)13(18-21)11(4)24-12/h5-6,11-13,15,17-18,20-21H,7H2,1-4H3.
What are the key properties of N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-5-(hydroxyamino)-6-methyl-3-oxooxan-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 123230755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).