N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide

C17H25NO3S — CID 71654544

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CN(c1ccc(O)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25NO3S/c1-14(2)6-5-7-15(3)12-13-18(22(4,20)21)16-8-10-17(19)11-9-16/h6,8-12,19H,5,7,13H2,1-4H3/b15-12+
InChIKeyPVKBQIDCMVUDCH-NTCAYCPXSA-N
MW323.46 g/mol
LogP3.85
Rot. Bonds7

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide (PubChem CID 71654544) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide
PubChem CID71654544
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CN(c1ccc(O)cc1)S(C)(=O)=O
InChIInChI=1S/C17H25NO3S/c1-14(2)6-5-7-15(3)12-13-18(22(4,20)21)16-8-10-17(19)11-9-16/h6,8-12,19H,5,7,13H2,1-4H3/b15-12+
InChIKeyPVKBQIDCMVUDCH-NTCAYCPXSA-N
XLogP3.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide 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

4-(Dimethylamino)phenol
CID 22174
N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 2368773
N-butyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407804
Phenol, 4-(dimethylamino)-, hydrochloride (1:1)
CID 22173
N-Butyl-p-aminophenol
CID 7665
Benzenaminium, 4-hydroxy-N,N,N-trimethyl-, iodide (1:1)
CID 23040
p-Piperidinophenol
CID 90452
4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
CID 44407885
4-hydroxy-N-isopropyl-N-phenylbenzenesulfonamide
CID 44407886
Phenol, 4-(hexylamino)-
CID 10058440
4-(Dodecylamino)Phenol
CID 16043298
N-ethyl-4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 44407725

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide (CID 71654544) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide is CC(C)=CCC/C(C)=C/CN(c1ccc(O)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide?
The InChIKey is PVKBQIDCMVUDCH-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-14(2)6-5-7-15(3)12-13-18(22(4,20)21)16-8-10-17(19)11-9-16/h6,8-12,19H,5,7,13H2,1-4H3/b15-12+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(4-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 71654544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).