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

C11H16BrClN2O2S — CID 84591296

IUPAC(E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)/C=C/c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-11-4-1-3-10(9-11)5-8-17(15,16)14-7-2-6-13;/h1,3-5,8-9,14H,2,6-7,13H2;1H/b8-5+;
InChIKeyIUCXGWMSYDIFBH-HAAWTFQLSA-N
MW355.69 g/mol
LogP2.11
Rot. Bonds6

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

(E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride (PubChem CID 84591296) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride
PubChem CID84591296
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC Name(E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)/C=C/c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2S.ClH/c12-11-4-1-3-10(9-11)5-8-17(15,16)14-7-2-6-13;/h1,3-5,8-9,14H,2,6-7,13H2;1H/b8-5+;
InChIKeyIUCXGWMSYDIFBH-HAAWTFQLSA-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

N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide
CID 127265568
N-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride
CID 127265571
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 120706697
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
6-[3-[[2-(3-bromophenyl)ethenylsulfonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
CID 54446789
N-(3-aminopropyl)-2-bromo-6-fluorobenzenesulfonamide;hydrochloride
CID 86780627
4-[2-(3-bromophenyl)ethenylsulfonylamino]-3-methylbenzoic acid
CID 126799047
N-(3-aminopropyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119407314

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride?
The IUPAC name of (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride (CID 84591296) is (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride.
What is the SMILES notation for (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride?
The canonical SMILES for (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)/C=C/c1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride?
The InChIKey is IUCXGWMSYDIFBH-HAAWTFQLSA-N. The full InChI is InChI=1S/C11H15BrN2O2S.ClH/c12-11-4-1-3-10(9-11)5-8-17(15,16)14-7-2-6-13;/h1,3-5,8-9,14H,2,6-7,13H2;1H/b8-5+;.
What are the key properties of (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride?
(E)-N-(3-aminopropyl)-2-(3-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 (E)-N-(3-aminopropyl)-2-(3-bromophenyl)ethenesulfonamide;hydrochloride is sourced from PubChem (CID 84591296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).