4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide

C14H20BrFN2O2S — CID 116528435

IUPAC4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Br)cc1F)N1CCCCC1
InChIInChI=1S/C14H20BrFN2O2S/c1-11(18-7-3-2-4-8-18)10-17-21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyVESDDLQRZQYSEG-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.74
Rot. Bonds5

About 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 116528435) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID116528435
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Br)cc1F)N1CCCCC1
InChIInChI=1S/C14H20BrFN2O2S/c1-11(18-7-3-2-4-8-18)10-17-21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyVESDDLQRZQYSEG-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 116527730
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-(2-bromo-3-ethylpentyl)-2-fluorobenzenesulfonamide
CID 106288659
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910
4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
CID 116530073
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
methyl 2-bromo-3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 103493671
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide (CID 116528435) is 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(Br)cc1F)N1CCCCC1.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is VESDDLQRZQYSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c1-11(18-7-3-2-4-8-18)10-17-21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 116528435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).