4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

C11H15FN2O3S — CID 82844731

IUPAC4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1F
InChIInChI=1S/C11H15FN2O3S/c12-10-5-9(1-2-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6,13H2
InChIKeyZBGSBMGJJABHKI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.46
Rot. Bonds4

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

4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 82844731) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID82844731
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1F
InChIInChI=1S/C11H15FN2O3S/c12-10-5-9(1-2-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6,13H2
InChIKeyZBGSBMGJJABHKI-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 82843661
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126987
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66006962
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methylbenzoic acid
CID 66004912
2-chloro-4-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoic acid
CID 107090153
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methoxybenzamide
CID 66006744

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 82844731) is 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is ZBGSBMGJJABHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-10-5-9(1-2-11(10)13)18(16,17)14-6-7-3-8(15)4-7/h1-2,5,7-8,14-15H,3-4,6,13H2.
What are the key properties of 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 82844731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).