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

C12H19NO5S — CID 107110952

IUPAC4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C12H19NO5S/c1-10(9-17-2)13-19(15,16)12-5-3-11(4-6-12)18-8-7-14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyAENVUASIIOAGMU-UHFFFAOYSA-N
MW289.35 g/mol
LogP0.37
Rot. Bonds8

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

4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 107110952) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID107110952
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Name4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C12H19NO5S/c1-10(9-17-2)13-19(15,16)12-5-3-11(4-6-12)18-8-7-14/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyAENVUASIIOAGMU-UHFFFAOYSA-N
XLogP0.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940
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-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 115755254

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 107110952) is 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(OCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is AENVUASIIOAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-10(9-17-2)13-19(15,16)12-5-3-11(4-6-12)18-8-7-14/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide?
4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107110952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).