5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide

C13H14BrFN2O2S2 — CID 106006764

IUPAC5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)c(Br)cc2F)s1
InChIInChI=1S/C13H14BrFN2O2S2/c1-2-8-3-4-9(20-8)7-17-21(18,19)13-6-12(16)10(14)5-11(13)15/h3-6,17H,2,7,16H2,1H3
InChIKeyKVXATHAPAPOWOB-UHFFFAOYSA-N
MW393.30 g/mol
LogP3.27
Rot. Bonds5

About 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide

5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 106006764) has the molecular formula C13H14BrFN2O2S2 and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID106006764
Molecular FormulaC13H14BrFN2O2S2
Molecular Weight393.30 g/mol
Exact Mass391.97
IUPAC Name5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)c(Br)cc2F)s1
InChIInChI=1S/C13H14BrFN2O2S2/c1-2-8-3-4-9(20-8)7-17-21(18,19)13-6-12(16)10(14)5-11(13)15/h3-6,17H,2,7,16H2,1H3
InChIKeyKVXATHAPAPOWOB-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide 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

5-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006837
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106006794
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
5-amino-4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 116530327
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxybenzenesulfonamide
CID 106011763

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide (CID 106006764) is 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2cc(N)c(Br)cc2F)s1.
What is the InChIKey of 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is KVXATHAPAPOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2S2/c1-2-8-3-4-9(20-8)7-17-21(18,19)13-6-12(16)10(14)5-11(13)15/h3-6,17H,2,7,16H2,1H3.
What are the key properties of 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide?
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 393.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106006764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).