2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

C12H14Cl2FNO3S — CID 103088698

IUPAC2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H14Cl2FNO3S/c1-12(2)8(5-9(12)17)16-20(18,19)7-4-3-6(13)11(15)10(7)14/h3-4,8-9,16-17H,5H2,1-2H3
InChIKeyJHOZQFGDCXFULF-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.57
Rot. Bonds3

About 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (PubChem CID 103088698) has the molecular formula C12H14Cl2FNO3S and a molecular weight of 342.22 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
PubChem CID103088698
Molecular FormulaC12H14Cl2FNO3S
Molecular Weight342.22 g/mol
Exact Mass341.01
IUPAC Name2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H14Cl2FNO3S/c1-12(2)8(5-9(12)17)16-20(18,19)7-4-3-6(13)11(15)10(7)14/h3-4,8-9,16-17H,5H2,1-2H3
InChIKeyJHOZQFGDCXFULF-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (CID 103088698) is 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The InChIKey is JHOZQFGDCXFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO3S/c1-12(2)8(5-9(12)17)16-20(18,19)7-4-3-6(13)11(15)10(7)14/h3-4,8-9,16-17H,5H2,1-2H3.
What are the key properties of 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 103088698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).