2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride

C10H16BrClN2O2S — CID 119973933

IUPAC2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C10H15BrN2O2S.ClH/c1-2-12-7-8-13-16(14,15)10-6-4-3-5-9(10)11;/h3-6,12-13H,2,7-8H2,1H3;1H
InChIKeyKBBAJWVTFYXDJN-UHFFFAOYSA-N
MW343.67 g/mol
LogP1.76
Rot. Bonds6

About 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride

2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119973933) has the molecular formula C10H16BrClN2O2S and a molecular weight of 343.67 g/mol. Its IUPAC name is 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID119973933
Molecular FormulaC10H16BrClN2O2S
Molecular Weight343.67 g/mol
Exact Mass341.98
IUPAC Name2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C10H15BrN2O2S.ClH/c1-2-12-7-8-13-16(14,15)10-6-4-3-5-9(10)11;/h3-6,12-13H,2,7-8H2,1H3;1H
InChIKeyKBBAJWVTFYXDJN-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.67
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 119973933) is 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccccc1Br.Cl.
What is the InChIKey of 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is KBBAJWVTFYXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S.ClH/c1-2-12-7-8-13-16(14,15)10-6-4-3-5-9(10)11;/h3-6,12-13H,2,7-8H2,1H3;1H.
What are the key properties of 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride?
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 343.67 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).