N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide

C14H15BrN2O2S — CID 62101486

IUPACN-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-2-17(14-9-4-3-8-13(14)16)20(18,19)12-7-5-6-11(15)10-12/h3-10H,2,16H2,1H3
InChIKeyIGBHSVUJIMAUIV-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.25
Rot. Bonds4

About N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide

N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide (PubChem CID 62101486) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
PubChem CID62101486
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-2-17(14-9-4-3-8-13(14)16)20(18,19)12-7-5-6-11(15)10-12/h3-10H,2,16H2,1H3
InChIKeyIGBHSVUJIMAUIV-UHFFFAOYSA-N
XLogP3.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide (CID 62101486) is N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide is CCN(c1ccccc1N)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide?
The InChIKey is IGBHSVUJIMAUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-2-17(14-9-4-3-8-13(14)16)20(18,19)12-7-5-6-11(15)10-12/h3-10H,2,16H2,1H3.
What are the key properties of N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide?
N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide is sourced from PubChem (CID 62101486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).