4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

C12H19NO3S — CID 51183649

IUPAC4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)COC)cc1
InChIInChI=1S/C12H19NO3S/c1-4-11-5-7-12(8-6-11)17(14,15)13-10(2)9-16-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyYWTFQHOYDCAOMS-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.56
Rot. Bonds6

About 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 51183649) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID51183649
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)COC)cc1
InChIInChI=1S/C12H19NO3S/c1-4-11-5-7-12(8-6-11)17(14,15)13-10(2)9-16-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyYWTFQHOYDCAOMS-UHFFFAOYSA-N
XLogP1.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide
CID 3510544
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107110952
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 51183649) is 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)COC)cc1.
What is the InChIKey of 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is YWTFQHOYDCAOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-11-5-7-12(8-6-11)17(14,15)13-10(2)9-16-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 51183649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).