1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

C13H18FNO3S — CID 114631615

IUPAC1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-13(2)11(7-12(13)16)15-19(17,18)8-9-3-5-10(14)6-4-9/h3-6,11-12,15-16H,7-8H2,1-2H3
InChIKeySLHPDWBMCZOEPS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.40
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (PubChem CID 114631615) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
PubChem CID114631615
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-13(2)11(7-12(13)16)15-19(17,18)8-9-3-5-10(14)6-4-9/h3-6,11-12,15-16H,7-8H2,1-2H3
InChIKeySLHPDWBMCZOEPS-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114628418
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoylmethyl]benzoic acid
CID 114628915
N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43597025
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylsulfonylmethanesulfonamide
CID 114631588
2-(4-aminophenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
CID 114628522
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
CID 98112507
2-hydroxy-1,1-dimethyl-4-(sulfamoylamino)cyclobutane
CID 114632810
(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 151287541
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
CID 112633164
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (CID 114631615) is 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The InChIKey is SLHPDWBMCZOEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-13(2)11(7-12(13)16)15-19(17,18)8-9-3-5-10(14)6-4-9/h3-6,11-12,15-16H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 114631615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).