4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide

C14H14Br2N2O2S — CID 61125800

IUPAC4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H14Br2N2O2S/c1-9(10-3-2-4-11(15)7-10)18-21(19,20)14-6-5-12(17)8-13(14)16/h2-9,18H,17H2,1H3
InChIKeyLMQSLEUYYWNWJM-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.83
Rot. Bonds4

About 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide

4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide (PubChem CID 61125800) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
PubChem CID61125800
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H14Br2N2O2S/c1-9(10-3-2-4-11(15)7-10)18-21(19,20)14-6-5-12(17)8-13(14)16/h2-9,18H,17H2,1H3
InChIKeyLMQSLEUYYWNWJM-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

N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61125991
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 43256680
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
CID 106035478
N-[1-(3-aminophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 43297963

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide (CID 61125800) is 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1Br)c1cccc(Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
The InChIKey is LMQSLEUYYWNWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-9(10-3-2-4-11(15)7-10)18-21(19,20)14-6-5-12(17)8-13(14)16/h2-9,18H,17H2,1H3.
What are the key properties of 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
4-amino-2-bromo-N-[1-(3-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 4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61125800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).