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

C14H15BrN2O2S — CID 61111772

IUPAC2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1N)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-10(11-6-2-3-7-12(11)15)17-20(18,19)14-9-5-4-8-13(14)16/h2-10,17H,16H2,1H3
InChIKeyWCFJVFQHPUIDFI-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.07
Rot. Bonds4

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

2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide (PubChem CID 61111772) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
PubChem CID61111772
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1N)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-10(11-6-2-3-7-12(11)15)17-20(18,19)14-9-5-4-8-13(14)16/h2-10,17H,16H2,1H3
InChIKeyWCFJVFQHPUIDFI-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.07
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-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113375971
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide (CID 61111772) is 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1N)c1ccccc1Br.
What is the InChIKey of 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The InChIKey is WCFJVFQHPUIDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10(11-6-2-3-7-12(11)15)17-20(18,19)14-9-5-4-8-13(14)16/h2-10,17H,16H2,1H3.
What are the key properties of 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61111772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).