N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide

C16H27NO4S — CID 19681648

IUPACN-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO4S/c1-5-7-8-13(6-2)12-17-22(18,19)16-11-14(20-3)9-10-15(16)21-4/h9-11,13,17H,5-8,12H2,1-4H3
InChIKeyRHLZLRRZPSXLCC-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.20
Rot. Bonds10

About N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide

N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 19681648) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID19681648
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC NameN-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO4S/c1-5-7-8-13(6-2)12-17-22(18,19)16-11-14(20-3)9-10-15(16)21-4/h9-11,13,17H,5-8,12H2,1-4H3
InChIKeyRHLZLRRZPSXLCC-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide 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-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]acetate
CID 3688922
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
CID 75864935
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide (CID 19681648) is N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is RHLZLRRZPSXLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S/c1-5-7-8-13(6-2)12-17-22(18,19)16-11-14(20-3)9-10-15(16)21-4/h9-11,13,17H,5-8,12H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide?
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 329.46 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 19681648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).