5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide

C11H12BrFN2O2S — CID 113474922

IUPAC5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CC=CC2)c(Br)cc1F
InChIInChI=1S/C11H12BrFN2O2S/c12-8-5-9(13)10(14)6-11(8)18(16,17)15-7-3-1-2-4-7/h1-2,5-7,15H,3-4,14H2
InChIKeyXQEVPPGLPTYYQC-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.17
Rot. Bonds3

About 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide

5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide (PubChem CID 113474922) has the molecular formula C11H12BrFN2O2S and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide
PubChem CID113474922
Molecular FormulaC11H12BrFN2O2S
Molecular Weight335.20 g/mol
Exact Mass333.98
IUPAC Name5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CC=CC2)c(Br)cc1F
InChIInChI=1S/C11H12BrFN2O2S/c12-8-5-9(13)10(14)6-11(8)18(16,17)15-7-3-1-2-4-7/h1-2,5-7,15H,3-4,14H2
InChIKeyXQEVPPGLPTYYQC-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 114542992
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
CID 116529819
5-amino-2-bromo-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587514
5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840238
1-(5-amino-2-bromo-4-fluorophenyl)sulfonyl-3-tert-butylurea
CID 116646532
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 61111911
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
5-amino-2-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzenesulfonamide
CID 82945297
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106095528

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide (CID 113474922) is 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)NC2CC=CC2)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide?
The InChIKey is XQEVPPGLPTYYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2S/c12-8-5-9(13)10(14)6-11(8)18(16,17)15-7-3-1-2-4-7/h1-2,5-7,15H,3-4,14H2.
What are the key properties of 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide?
5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide has a molecular weight of 335.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-cyclopent-3-en-1-yl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113474922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).