N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide

C13H22N2O4S — CID 106056940

IUPACN-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
SMILESCNCCOc1ccc(S(=O)(=O)NC(C)COC)cc1
InChIInChI=1S/C13H22N2O4S/c1-11(10-18-3)15-20(16,17)13-6-4-12(5-7-13)19-9-8-14-2/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyURUQKVPITXIVRU-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.60
Rot. Bonds9

About N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide

N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide (PubChem CID 106056940) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
PubChem CID106056940
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
SMILESCNCCOc1ccc(S(=O)(=O)NC(C)COC)cc1
InChIInChI=1S/C13H22N2O4S/c1-11(10-18-3)15-20(16,17)13-6-4-12(5-7-13)19-9-8-14-2/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyURUQKVPITXIVRU-UHFFFAOYSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107110952
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
4-[2-(methylamino)ethoxy]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053680
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide (CID 106056940) is N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide is CNCCOc1ccc(S(=O)(=O)NC(C)COC)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide?
The InChIKey is URUQKVPITXIVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-11(10-18-3)15-20(16,17)13-6-4-12(5-7-13)19-9-8-14-2/h4-7,11,14-15H,8-10H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide?
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide is sourced from PubChem (CID 106056940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).