N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide

C11H13F2NO3S — CID 165368781

IUPACN-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide
SMILESCc1cc(O)cc(S(=O)(=O)NC2CC(F)(F)C2)c1
InChIInChI=1S/C11H13F2NO3S/c1-7-2-9(15)4-10(3-7)18(16,17)14-8-5-11(12,13)6-8/h2-4,8,14-15H,5-6H2,1H3
InChIKeyZXCIBEFZBWSIMD-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.78
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide

N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide (PubChem CID 165368781) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide
PubChem CID165368781
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC NameN-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide
SMILESCc1cc(O)cc(S(=O)(=O)NC2CC(F)(F)C2)c1
InChIInChI=1S/C11H13F2NO3S/c1-7-2-9(15)4-10(3-7)18(16,17)14-8-5-11(12,13)6-8/h2-4,8,14-15H,5-6H2,1H3
InChIKeyZXCIBEFZBWSIMD-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-difluorocyclobutyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 165368782
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111370
3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
CID 82184304
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 165368807
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
3-amino-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949964
N-cyclopentyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81435941
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
3-bromo-5-methyl-N-[(4S)-oxepan-4-yl]benzenesulfonamide
CID 99788629

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide (CID 165368781) is N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide is Cc1cc(O)cc(S(=O)(=O)NC2CC(F)(F)C2)c1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide?
The InChIKey is ZXCIBEFZBWSIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-7-2-9(15)4-10(3-7)18(16,17)14-8-5-11(12,13)6-8/h2-4,8,14-15H,5-6H2,1H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide?
N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide has a molecular weight of 277.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-3-hydroxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 165368781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).