N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide

C11H15BrN2O3S — CID 43596964

IUPACN-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CC1N
InChIInChI=1S/C11H15BrN2O3S/c1-2-17-10-4-3-7(12)5-11(10)18(15,16)14-9-6-8(9)13/h3-5,8-9,14H,2,6,13H2,1H3
InChIKeyIUJQGOKDQYAODH-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.23
Rot. Bonds5

About N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide

N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide (PubChem CID 43596964) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
PubChem CID43596964
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC1CC1N
InChIInChI=1S/C11H15BrN2O3S/c1-2-17-10-4-3-7(12)5-11(10)18(15,16)14-9-6-8(9)13/h3-5,8-9,14H,2,6,13H2,1H3
InChIKeyIUJQGOKDQYAODH-UHFFFAOYSA-N
XLogP1.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
CID 43596915
5-bromo-2-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651368
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
CID 65245008
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 80697783
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 115310717
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide (CID 43596964) is N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NC1CC1N.
What is the InChIKey of N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide?
The InChIKey is IUJQGOKDQYAODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-2-17-10-4-3-7(12)5-11(10)18(15,16)14-9-6-8(9)13/h3-5,8-9,14H,2,6,13H2,1H3.
What are the key properties of N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide?
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 43596964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).