N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride

C8H12BrClN2O2S — CID 119960213

IUPACN-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C8H11BrN2O2S.ClH/c9-7-2-1-3-8(6-7)14(12,13)11-5-4-10;/h1-3,6,11H,4-5,10H2;1H
InChIKeyKLRLVAKKPKWEFR-UHFFFAOYSA-N
MW315.62 g/mol
LogP1.11
Rot. Bonds4

About N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride (PubChem CID 119960213) has the molecular formula C8H12BrClN2O2S and a molecular weight of 315.62 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
PubChem CID119960213
Molecular FormulaC8H12BrClN2O2S
Molecular Weight315.62 g/mol
Exact Mass313.95
IUPAC NameN-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C8H11BrN2O2S.ClH/c9-7-2-1-3-8(6-7)14(12,13)11-5-4-10;/h1-3,6,11H,4-5,10H2;1H
InChIKeyKLRLVAKKPKWEFR-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
2-(2-aminoethoxy)ethanol;3-bromobenzenesulfonyl chloride;3-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 160861849
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
CID 70646120
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-bromo-N-(3-chlorobutyl)benzenesulfonamide
CID 65033049
3-bromo-N-(3-cyanopropyl)benzenesulfonamide
CID 62665683
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride (CID 119960213) is N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride?
The InChIKey is KLRLVAKKPKWEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S.ClH/c9-7-2-1-3-8(6-7)14(12,13)11-5-4-10;/h1-3,6,11H,4-5,10H2;1H.
What are the key properties of N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride has a molecular weight of 315.62 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).