4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide

C14H17BrFNO2S — CID 116528239

IUPAC4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2S/c1-2-9-17(12-5-3-4-6-12)20(18,19)14-8-7-11(15)10-13(14)16/h2,7-8,10,12H,1,3-6,9H2
InChIKeyMAYPZSMJPMBXQE-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.71
Rot. Bonds5

About 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide

4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide (PubChem CID 116528239) has the molecular formula C14H17BrFNO2S and a molecular weight of 362.26 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
PubChem CID116528239
Molecular FormulaC14H17BrFNO2S
Molecular Weight362.26 g/mol
Exact Mass361.01
IUPAC Name4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C14H17BrFNO2S/c1-2-9-17(12-5-3-4-6-12)20(18,19)14-8-7-11(15)10-13(14)16/h2,7-8,10,12H,1,3-6,9H2
InChIKeyMAYPZSMJPMBXQE-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide 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

4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
4-bromo-N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528768
2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide
CID 61114170
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736
2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 60950243
2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829623
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873318
N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
CID 3670403

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide (CID 116528239) is 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide is C=CCN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is MAYPZSMJPMBXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2S/c1-2-9-17(12-5-3-4-6-12)20(18,19)14-8-7-11(15)10-13(14)16/h2,7-8,10,12H,1,3-6,9H2.
What are the key properties of 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide?
4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 362.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 116528239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).