N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide

C9H9BrCl2N2O2S — CID 43596920

IUPACN-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2N2O2S/c10-4-1-5(11)9(6(12)2-4)17(15,16)14-8-3-7(8)13/h1-2,7-8,14H,3,13H2
InChIKeyYAJVZOBQPJHUKH-UHFFFAOYSA-N
MW360.06 g/mol
LogP2.13
Rot. Bonds3

About N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide

N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide (PubChem CID 43596920) has the molecular formula C9H9BrCl2N2O2S and a molecular weight of 360.06 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide
PubChem CID43596920
Molecular FormulaC9H9BrCl2N2O2S
Molecular Weight360.06 g/mol
Exact Mass357.89
IUPAC NameN-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H9BrCl2N2O2S/c10-4-1-5(11)9(6(12)2-4)17(15,16)14-8-3-7(8)13/h1-2,7-8,14H,3,13H2
InChIKeyYAJVZOBQPJHUKH-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.06
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide (CID 43596920) is N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide is NC1CC1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
The InChIKey is YAJVZOBQPJHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2O2S/c10-4-1-5(11)9(6(12)2-4)17(15,16)14-8-3-7(8)13/h1-2,7-8,14H,3,13H2.
What are the key properties of N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide?
N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide has a molecular weight of 360.06 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-4-bromo-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 43596920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).