N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

C23H39NO3S — CID 101383346

IUPACN-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESC=C(C(C)CC)C(CO)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C23H39NO3S/c1-10-17(8)18(9)22(13-25)24-28(26,27)23-20(15(4)5)11-19(14(2)3)12-21(23)16(6)7/h11-12,14-17,22,24-25H,9-10,13H2,1-8H3
InChIKeyVKBFTWGYIWHDMJ-UHFFFAOYSA-N
MW409.64 g/mol
LogP5.30
Rot. Bonds10

About N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 101383346) has the molecular formula C23H39NO3S and a molecular weight of 409.64 g/mol. Its IUPAC name is N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID101383346
Molecular FormulaC23H39NO3S
Molecular Weight409.64 g/mol
Exact Mass409.27
IUPAC NameN-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESC=C(C(C)CC)C(CO)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C23H39NO3S/c1-10-17(8)18(9)22(13-25)24-28(26,27)23-20(15(4)5)11-19(14(2)3)12-21(23)16(6)7/h11-12,14-17,22,24-25H,9-10,13H2,1-8H3
InChIKeyVKBFTWGYIWHDMJ-UHFFFAOYSA-N
XLogP5.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.64
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide 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

N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2836113
(S)-2-[[(4-methylphenyl)sulfonyl]amino]-1-hexanol
CID 44575064
4-tert-butyl-N-[4-(2-hydroxyethyl)cyclohexyl]benzenesulfonamide
CID 56941568
N-(1-methoxypropan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 2904448
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methylbenzenesulfonamide
CID 25263445
N-[(2S)-6-amino-1-hydroxyhexan-2-yl]-4-methylbenzenesulfonamide
CID 44575066
(2-Hydroxyethyl){[2,4,6-tris(methylethyl)phenyl]sulfonyl}amine
CID 2057508
2,4,6-triisopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 2139997
N-[(1R,2R)-2-hydroxycycloheptyl]-2,4-dimethylbenzenesulfonamide
CID 132357787
2,4,6-trimethyl-N-(2,2,2-trifluoro-1-hydroxymethylethyl)benzenesulfonamide
CID 57474035
N-(3-hydroxypropyl)-2,4,6-trimethylbenzenesulfonamide
CID 1719754
N-[(2S,3S)-3-(hydroxymethyl)heptan-2-yl]-4-methylbenzenesulfonamide
CID 10040405

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 101383346) is N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is C=C(C(C)CC)C(CO)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is VKBFTWGYIWHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3S/c1-10-17(8)18(9)22(13-25)24-28(26,27)23-20(15(4)5)11-19(14(2)3)12-21(23)16(6)7/h11-12,14-17,22,24-25H,9-10,13H2,1-8H3.
What are the key properties of N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 409.64 g/mol, XLogP of 5.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methyl-3-methylidenehexan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 101383346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).