4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

C13H19NO3S — CID 66006962

IUPAC4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-10-3-5-13(6-4-10)18(16,17)14-9-11-7-12(15)8-11/h3-6,11-12,14-15H,2,7-9H2,1H3
InChIKeyLITMUIHWKFMYBT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.30
Rot. Bonds5

About 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 66006962) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID66006962
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-10-3-5-13(6-4-10)18(16,17)14-9-11-7-12(15)8-11/h3-6,11-12,14-15H,2,7-9H2,1H3
InChIKeyLITMUIHWKFMYBT-UHFFFAOYSA-N
XLogP1.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 79185566
ethyl 4-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoate
CID 66005245
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methylbenzoic acid
CID 66004912
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 82844731
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
4-ethyl-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640709

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 66006962) is 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1.
What is the InChIKey of 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is LITMUIHWKFMYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-10-3-5-13(6-4-10)18(16,17)14-9-11-7-12(15)8-11/h3-6,11-12,14-15H,2,7-9H2,1H3.
What are the key properties of 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66006962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).