N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide

C10H11BrCl2N2O2S — CID 43597703

IUPACN-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C10H11BrCl2N2O2S/c11-5-1-8(12)10(9(13)2-5)18(16,17)15-7-3-6(14)4-7/h1-2,6-7,15H,3-4,14H2
InChIKeyPIQODCCXEKAMNT-UHFFFAOYSA-N
MW374.09 g/mol
LogP2.52
Rot. Bonds3

About N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide

N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide (PubChem CID 43597703) has the molecular formula C10H11BrCl2N2O2S and a molecular weight of 374.09 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide
PubChem CID43597703
Molecular FormulaC10H11BrCl2N2O2S
Molecular Weight374.09 g/mol
Exact Mass371.91
IUPAC NameN-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNC1CC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C10H11BrCl2N2O2S/c11-5-1-8(12)10(9(13)2-5)18(16,17)15-7-3-6(14)4-7/h1-2,6-7,15H,3-4,14H2
InChIKeyPIQODCCXEKAMNT-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.09
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide (CID 43597703) is N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide is NC1CC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The InChIKey is PIQODCCXEKAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2O2S/c11-5-1-8(12)10(9(13)2-5)18(16,17)15-7-3-6(14)4-7/h1-2,6-7,15H,3-4,14H2.
What are the key properties of N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide has a molecular weight of 374.09 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-4-bromo-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 43597703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).