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

C12H11BrF2N2O2S2 — CID 106035077

IUPAC5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C12H11BrF2N2O2S2/c13-11-2-1-8(20-11)3-4-17-21(18,19)10-6-7(16)5-9(14)12(10)15/h1-2,5-6,17H,3-4,16H2
InChIKeyMKYBYLRLWXWQBG-UHFFFAOYSA-N
MW397.27 g/mol
LogP2.89
Rot. Bonds5

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

5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide (PubChem CID 106035077) has the molecular formula C12H11BrF2N2O2S2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide
PubChem CID106035077
Molecular FormulaC12H11BrF2N2O2S2
Molecular Weight397.27 g/mol
Exact Mass395.94
IUPAC Name5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C12H11BrF2N2O2S2/c13-11-2-1-8(20-11)3-4-17-21(18,19)10-6-7(16)5-9(14)12(10)15/h1-2,5-6,17H,3-4,16H2
InChIKeyMKYBYLRLWXWQBG-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106035109
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethylbenzenesulfonamide
CID 106035162
5-amino-3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzenesulfonamide
CID 106034935
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106035121
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106035146
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 104868385
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 106037433
5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 103606955
N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106044406
5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide
CID 65022706
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzenesulfonamide
CID 106035186
1-(4-aminophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]methanesulfonamide
CID 106035136

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide (CID 106035077) is 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)NCCc2ccc(Br)s2)c1.
What is the InChIKey of 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide?
The InChIKey is MKYBYLRLWXWQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O2S2/c13-11-2-1-8(20-11)3-4-17-21(18,19)10-6-7(16)5-9(14)12(10)15/h1-2,5-6,17H,3-4,16H2.
What are the key properties of 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide?
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide has a molecular weight of 397.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 106035077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).