3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide

C10H9BrClF2NO2S — CID 153410014

IUPAC3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CC(F)(F)C2)ccc(Br)c1Cl
InChIInChI=1S/C10H9BrClF2NO2S/c11-7-2-1-6(5-3-10(13,14)4-5)9(8(7)12)18(15,16)17/h1-2,5H,3-4H2,(H2,15,16,17)
InChIKeyHIJMKVNWUPVYSJ-UHFFFAOYSA-N
MW360.61 g/mol
LogP3.26
Rot. Bonds2

About 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide

3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide (PubChem CID 153410014) has the molecular formula C10H9BrClF2NO2S and a molecular weight of 360.61 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide
PubChem CID153410014
Molecular FormulaC10H9BrClF2NO2S
Molecular Weight360.61 g/mol
Exact Mass358.92
IUPAC Name3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CC(F)(F)C2)ccc(Br)c1Cl
InChIInChI=1S/C10H9BrClF2NO2S/c11-7-2-1-6(5-3-10(13,14)4-5)9(8(7)12)18(15,16)17/h1-2,5H,3-4H2,(H2,15,16,17)
InChIKeyHIJMKVNWUPVYSJ-UHFFFAOYSA-N
XLogP3.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide
CID 153410025
3-Bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 153409995
3-Bromo-2-chloro-6-phenylbenzenesulfonamide
CID 153410000
3-Bromo-2-chloro-6-methylbenzenesulfonamide
CID 131538709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide (CID 153410014) is 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide is NS(=O)(=O)c1c(C2CC(F)(F)C2)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide?
The InChIKey is HIJMKVNWUPVYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2NO2S/c11-7-2-1-6(5-3-10(13,14)4-5)9(8(7)12)18(15,16)17/h1-2,5H,3-4H2,(H2,15,16,17).
What are the key properties of 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide?
3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide has a molecular weight of 360.61 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide is sourced from PubChem (CID 153410014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).