N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride

C11H16BrClN2O2S — CID 127265571

IUPACN-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)C=Cc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-11-4-2-10(3-5-11)6-9-17(15,16)14-8-1-7-13;/h2-6,9,14H,1,7-8,13H2;1H
InChIKeyHCLRROMWWBQRIG-UHFFFAOYSA-N
MW355.69 g/mol
LogP2.11
Rot. Bonds6

About N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride

N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride (PubChem CID 127265571) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride
PubChem CID127265571
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC NameN-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)C=Cc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-11-4-2-10(3-5-11)6-9-17(15,16)14-8-1-7-13;/h2-6,9,14H,1,7-8,13H2;1H
InChIKeyHCLRROMWWBQRIG-UHFFFAOYSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride
CID 84591296
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide
CID 127265568
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
2-(4-bromophenyl)-N-(4-chlorophenyl)ethenesulfonamide
CID 66810710
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
2-(4-chlorophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethenesulfonamide
CID 103597906
(E)-N-[3-(2-methoxyethoxy)propyl]-2-phenylethenesulfonamide
CID 47121888
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 120706697
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride (CID 127265571) is N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)C=Cc1ccc(Br)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride?
The InChIKey is HCLRROMWWBQRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S.ClH/c12-11-4-2-10(3-5-11)6-9-17(15,16)14-8-1-7-13;/h2-6,9,14H,1,7-8,13H2;1H.
What are the key properties of N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride?
N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride has a molecular weight of 355.69 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride is sourced from PubChem (CID 127265571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).