2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide

C14H14Br2N2O2S — CID 61110850

IUPAC2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1N)c1ccccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-9(11-4-2-3-5-12(11)16)18-21(19,20)14-8-10(15)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyBOZLHGVWDKDDET-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.83
Rot. Bonds4

About 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide

2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide (PubChem CID 61110850) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
PubChem CID61110850
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1N)c1ccccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-9(11-4-2-3-5-12(11)16)18-21(19,20)14-8-10(15)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyBOZLHGVWDKDDET-UHFFFAOYSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111772
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
CID 54889044
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861996
2-amino-5-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182474
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide (CID 61110850) is 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Br)ccc1N)c1ccccc1Br.
What is the InChIKey of 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The InChIKey is BOZLHGVWDKDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-9(11-4-2-3-5-12(11)16)18-21(19,20)14-8-10(15)6-7-13(14)17/h2-9,18H,17H2,1H3.
What are the key properties of 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61110850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).