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

C10H9BrClF2NO2S — CID 150656815

IUPAC2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC(F)(F)C1)c1cccc(Cl)c1Br
InChIInChI=1S/C10H9BrClF2NO2S/c11-9-7(12)2-1-3-8(9)18(16,17)15-6-4-10(13,14)5-6/h1-3,6,15H,4-5H2
InChIKeyJDAHAJJCGIBFFM-UHFFFAOYSA-N
MW360.61 g/mol
LogP3.18
Rot. Bonds3

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

2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide (PubChem CID 150656815) has the molecular formula C10H9BrClF2NO2S and a molecular weight of 360.61 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
PubChem CID150656815
Molecular FormulaC10H9BrClF2NO2S
Molecular Weight360.61 g/mol
Exact Mass358.92
IUPAC Name2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC(F)(F)C1)c1cccc(Cl)c1Br
InChIInChI=1S/C10H9BrClF2NO2S/c11-9-7(12)2-1-3-8(9)18(16,17)15-6-4-10(13,14)5-6/h1-3,6,15H,4-5H2
InChIKeyJDAHAJJCGIBFFM-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide (CID 150656815) is 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide is O=S(=O)(NC1CC(F)(F)C1)c1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The InChIKey is JDAHAJJCGIBFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2NO2S/c11-9-7(12)2-1-3-8(9)18(16,17)15-6-4-10(13,14)5-6/h1-3,6,15H,4-5H2.
What are the key properties of 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide has a molecular weight of 360.61 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide is sourced from PubChem (CID 150656815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).