N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide

C12H17NO4S — CID 114120079

IUPACN-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C12H17NO4S/c1-2-17-10-7-9(8-10)13-18(15,16)12-6-4-3-5-11(12)14/h3-6,9-10,13-14H,2,7-8H2,1H3
InChIKeyFSLWALDRBPOJRY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.24
Rot. Bonds5

About N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide

N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide (PubChem CID 114120079) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide
PubChem CID114120079
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C12H17NO4S/c1-2-17-10-7-9(8-10)13-18(15,16)12-6-4-3-5-11(12)14/h3-6,9-10,13-14H,2,7-8H2,1H3
InChIKeyFSLWALDRBPOJRY-UHFFFAOYSA-N
XLogP1.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
CID 102609465
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
5-bromo-N-(3-ethoxycyclobutyl)-2-nitrobenzenesulfonamide
CID 102609499
N-(3-ethoxycyclobutyl)-3-fluoropyridine-2-sulfonamide
CID 114118992
5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid
CID 114118892
5-(aminomethyl)-N-(3-ethoxycyclobutyl)furan-2-sulfonamide
CID 114120981
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
2-amino-N-(3-ethoxycyclobutyl)pyrimidine-5-sulfonamide
CID 114120750
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
N-(3-ethoxycyclobutyl)propane-2-sulfonamide
CID 102609488
1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide
CID 102609515
N-(3-ethoxycyclobutyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 102609491

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide (CID 114120079) is N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide is CCOC1CC(NS(=O)(=O)c2ccccc2O)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide?
The InChIKey is FSLWALDRBPOJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-2-17-10-7-9(8-10)13-18(15,16)12-6-4-3-5-11(12)14/h3-6,9-10,13-14H,2,7-8H2,1H3.
What are the key properties of N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide?
N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 114120079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).