N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide

C15H23NO4S — CID 132971025

IUPACN-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(COC)ccc2OC)CCC1
InChIInChI=1S/C15H23NO4S/c1-4-15(8-5-9-15)16-21(17,18)14-10-12(11-19-2)6-7-13(14)20-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyZASWIFXRNZSXIM-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.45
Rot. Bonds7

About N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide

N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide (PubChem CID 132971025) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide
PubChem CID132971025
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(COC)ccc2OC)CCC1
InChIInChI=1S/C15H23NO4S/c1-4-15(8-5-9-15)16-21(17,18)14-10-12(11-19-2)6-7-13(14)20-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeyZASWIFXRNZSXIM-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704737
N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
CID 115902986
(2S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]propanoic acid
CID 122069816
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071108
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]butanoic acid
CID 122067616
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 106612674
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid
CID 136531124
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 113488706

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide (CID 132971025) is N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide is CCC1(NS(=O)(=O)c2cc(COC)ccc2OC)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide?
The InChIKey is ZASWIFXRNZSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-15(8-5-9-15)16-21(17,18)14-10-12(11-19-2)6-7-13(14)20-3/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide?
N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 132971025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).