N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide

C18H31NO4S — CID 3432090

IUPACN-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide
SMILESCCCCC(CC)COCCCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H31NO4S/c1-4-6-8-16(5-2)15-23-14-7-13-19-24(20,21)18-11-9-17(22-3)10-12-18/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeySYXFXQGRAFJXGY-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.60
Rot. Bonds13

About N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide

N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide (PubChem CID 3432090) has the molecular formula C18H31NO4S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide
PubChem CID3432090
Molecular FormulaC18H31NO4S
Molecular Weight357.52 g/mol
Exact Mass357.20
IUPAC NameN-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide
SMILESCCCCC(CC)COCCCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H31NO4S/c1-4-6-8-16(5-2)15-23-14-7-13-19-24(20,21)18-11-9-17(22-3)10-12-18/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeySYXFXQGRAFJXGY-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide
CID 3722242
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
2,4-dichloro-N-[3-(2-ethylhexoxy)propyl]benzenesulfonamide
CID 3812613
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
N-[3-(2-ethylhexoxy)propyl]-1-(2-nitrophenyl)methanesulfonamide
CID 3440152
4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]benzenesulfonic acid
CID 90129308
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-(3-chloro-4-methoxybutyl)-4-methoxybenzenesulfonamide
CID 106245506
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
CID 3409975
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide (CID 3432090) is N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide is CCCCC(CC)COCCCNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide?
The InChIKey is SYXFXQGRAFJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4S/c1-4-6-8-16(5-2)15-23-14-7-13-19-24(20,21)18-11-9-17(22-3)10-12-18/h9-12,16,19H,4-8,13-15H2,1-3H3.
What are the key properties of N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide?
N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide has a molecular weight of 357.52 g/mol, XLogP of 3.60, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylhexoxy)propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3432090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).