3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide

C12H13BrN2O2S2 — CID 104868385

IUPAC3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C12H13BrN2O2S2/c13-12-5-4-10(18-12)6-7-15-19(16,17)11-3-1-2-9(14)8-11/h1-5,8,15H,6-7,14H2
InChIKeyQZFLBSRFARBFFF-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 104868385) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID104868385
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C12H13BrN2O2S2/c13-12-5-4-10(18-12)6-7-15-19(16,17)11-3-1-2-9(14)8-11/h1-5,8,15H,6-7,14H2
InChIKeyQZFLBSRFARBFFF-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106095235
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzenesulfonamide
CID 106035186
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106035151
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethylbenzenesulfonamide
CID 106035162
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106035121
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide
CID 106035077
N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106044406
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106035109
1-(4-aminophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]methanesulfonamide
CID 106035136
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106035146
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 106049811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide (CID 104868385) is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide is Nc1cccc(S(=O)(=O)NCCc2ccc(Br)s2)c1.
What is the InChIKey of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QZFLBSRFARBFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c13-12-5-4-10(18-12)6-7-15-19(16,17)11-3-1-2-9(14)8-11/h1-5,8,15H,6-7,14H2.
What are the key properties of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide?
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 361.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 104868385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).