N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide

C14H23NO4S — CID 106002518

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccccc1CO)C(C)C
InChIInChI=1S/C14H23NO4S/c1-4-19-10-13(11(2)3)15-20(17,18)14-8-6-5-7-12(14)9-16/h5-8,11,13,15-16H,4,9-10H2,1-3H3
InChIKeyLDLPYJIGHSMNPJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.52
Rot. Bonds8

About N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide

N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide (PubChem CID 106002518) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide
PubChem CID106002518
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccccc1CO)C(C)C
InChIInChI=1S/C14H23NO4S/c1-4-19-10-13(11(2)3)15-20(17,18)14-8-6-5-7-12(14)9-16/h5-8,11,13,15-16H,4,9-10H2,1-3H3
InChIKeyLDLPYJIGHSMNPJ-UHFFFAOYSA-N
XLogP1.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106002536
2-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)-5-fluorobenzenesulfonamide
CID 106093811
N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106054391
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
2-(3-hydroxyprop-1-ynyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048095
4-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103223772
2-chloro-5-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270424
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132450
3-cyano-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270415
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide (CID 106002518) is N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide is CCOCC(NS(=O)(=O)c1ccccc1CO)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide?
The InChIKey is LDLPYJIGHSMNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-19-10-13(11(2)3)15-20(17,18)14-8-6-5-7-12(14)9-16/h5-8,11,13,15-16H,4,9-10H2,1-3H3.
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide?
N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106002518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).