1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide

C7H13F2NO3S — CID 114631552

IUPAC1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO3S/c1-7(2)4(3-5(7)11)10-14(12,13)6(8)9/h4-6,10-11H,3H2,1-2H3
InChIKeyPWGHTICGWOPNNL-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.29
Rot. Bonds3

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

1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (PubChem CID 114631552) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
PubChem CID114631552
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2NO3S/c1-7(2)4(3-5(7)11)10-14(12,13)6(8)9/h4-6,10-11H,3H2,1-2H3
InChIKeyPWGHTICGWOPNNL-UHFFFAOYSA-N
XLogP0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
CID 103833762
1,1-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103835458
4,4,4-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 113610357
1,1,1-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631576
2,2-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)cyclobutan-1-ol
CID 114809878
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutane-1-sulfonamide
CID 104953052
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
CID 114631479
N-(3-hydroxy-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 114631480
N-(3-hydroxy-2,2-dimethylcyclobutyl)propane-2-sulfonamide
CID 114631535
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 114631559
N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631627
N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
CID 114631629

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide (CID 114631552) is 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
The InChIKey is PWGHTICGWOPNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c1-7(2)4(3-5(7)11)10-14(12,13)6(8)9/h4-6,10-11H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide?
1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide has a molecular weight of 229.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 114631552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).