4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide

C14H20FNO3S — CID 107327543

IUPAC4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H20FNO3S/c1-8-5-10(15)6-9(2)13(8)20(18,19)16-11-7-12(17)14(11,3)4/h5-6,11-12,16-17H,7H2,1-4H3
InChIKeyRRPHOIGHSNETBV-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.88
Rot. Bonds3

About 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide

4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107327543) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107327543
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H20FNO3S/c1-8-5-10(15)6-9(2)13(8)20(18,19)16-11-7-12(17)14(11,3)4/h5-6,11-12,16-17H,7H2,1-4H3
InChIKeyRRPHOIGHSNETBV-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,6-dimethylbenzenesulfonamide
CID 103171883
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide
CID 114628511
4-amino-2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628394
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631595
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114628487
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
2-amino-4,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628509
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide (CID 107327543) is 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CC(O)C1(C)C.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is RRPHOIGHSNETBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-8-5-10(15)6-9(2)13(8)20(18,19)16-11-7-12(17)14(11,3)4/h5-6,11-12,16-17H,7H2,1-4H3.
What are the key properties of 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).