N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide

C11H17NO4S — CID 168924991

IUPACN-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(OC)OC)c1
InChIInChI=1S/C11H17NO4S/c1-4-17(13,14)12-10-7-5-6-9(8-10)11(15-2)16-3/h5-8,11-12H,4H2,1-3H3
InChIKeyPDQBQQCUVIBTBP-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.74
Rot. Bonds6

About N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide

N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide (PubChem CID 168924991) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
PubChem CID168924991
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(OC)OC)c1
InChIInChI=1S/C11H17NO4S/c1-4-17(13,14)12-10-7-5-6-9(8-10)11(15-2)16-3/h5-8,11-12H,4H2,1-3H3
InChIKeyPDQBQQCUVIBTBP-UHFFFAOYSA-N
XLogP1.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
CID 16794346
N-[4-[1-(3-methoxyanilino)ethyl]phenyl]ethanesulfonamide
CID 84596568
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
N-[3-[2-[4-(difluoromethoxy)phenyl]ethynyl]phenyl]ethanesulfonamide
CID 59790328
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane
CID 155724821
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide (CID 168924991) is N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C(OC)OC)c1.
What is the InChIKey of N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide?
The InChIKey is PDQBQQCUVIBTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-4-17(13,14)12-10-7-5-6-9(8-10)11(15-2)16-3/h5-8,11-12H,4H2,1-3H3.
What are the key properties of N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide?
N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 168924991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).