N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide

C10H13BrN2O2S — CID 127265568

IUPACN-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide
SMILESNCCNS(=O)(=O)C=Cc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O2S/c11-10-3-1-2-9(8-10)4-7-16(14,15)13-6-5-12/h1-4,7-8,13H,5-6,12H2
InChIKeyYSKFITNBIKSCEQ-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.30
Rot. Bonds5

About N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide

N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide (PubChem CID 127265568) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide
PubChem CID127265568
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC NameN-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide
SMILESNCCNS(=O)(=O)C=Cc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O2S/c11-10-3-1-2-9(8-10)4-7-16(14,15)13-6-5-12/h1-4,7-8,13H,5-6,12H2
InChIKeyYSKFITNBIKSCEQ-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(3-aminopropyl)-2-(4-bromophenyl)ethenesulfonamide;hydrochloride
CID 127265571
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
4-[2-(3-bromophenyl)ethenylsulfonylamino]-3-methylbenzoic acid
CID 126799047
(E)-2-(4-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]ethenesulfonamide
CID 9301836
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
6-[3-[[2-(3-bromophenyl)ethenylsulfonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
CID 54446789
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
4-(3-bromophenyl)but-3-ene-1-thiol
CID 170479347

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide (CID 127265568) is N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide is NCCNS(=O)(=O)C=Cc1cccc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide?
The InChIKey is YSKFITNBIKSCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c11-10-3-1-2-9(8-10)4-7-16(14,15)13-6-5-12/h1-4,7-8,13H,5-6,12H2.
What are the key properties of N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide?
N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide has a molecular weight of 305.20 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-bromophenyl)ethenesulfonamide is sourced from PubChem (CID 127265568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).