N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide

C13H19NO5S — CID 115902986

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2(CO)CCC2)c1
InChIInChI=1S/C13H19NO5S/c1-18-10-4-5-11(19-2)12(8-10)20(16,17)14-13(9-15)6-3-7-13/h4-5,8,14-15H,3,6-7,9H2,1-2H3
InChIKeyFNYCOWKPMWHHCL-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.90
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide

N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 115902986) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID115902986
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2(CO)CCC2)c1
InChIInChI=1S/C13H19NO5S/c1-18-10-4-5-11(19-2)12(8-10)20(16,17)14-13(9-15)6-3-7-13/h4-5,8,14-15H,3,6-7,9H2,1-2H3
InChIKeyFNYCOWKPMWHHCL-UHFFFAOYSA-N
XLogP0.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide
CID 132971025
3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide
CID 115902962
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
methyl 5-bromo-4-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]thiophene-2-carboxylate
CID 104600258
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide (CID 115902986) is N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2(CO)CCC2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is FNYCOWKPMWHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-18-10-4-5-11(19-2)12(8-10)20(16,17)14-13(9-15)6-3-7-13/h4-5,8,14-15H,3,6-7,9H2,1-2H3.
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide?
N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 115902986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).