5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide

C11H16BrFN2O4S2 — CID 60609518

IUPAC5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2O4S2/c1-2-20(16,17)14-6-3-7-15-21(18,19)11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyUYWBUYSAXYOBSB-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.20
Rot. Bonds8

About 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide

5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide (PubChem CID 60609518) has the molecular formula C11H16BrFN2O4S2 and a molecular weight of 403.30 g/mol. Its IUPAC name is 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
PubChem CID60609518
Molecular FormulaC11H16BrFN2O4S2
Molecular Weight403.30 g/mol
Exact Mass401.97
IUPAC Name5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2O4S2/c1-2-20(16,17)14-6-3-7-15-21(18,19)11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyUYWBUYSAXYOBSB-UHFFFAOYSA-N
XLogP1.20
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60609677
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
3-[(5-bromo-2-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071383
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653
4-bromo-2-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 104919371
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide (CID 60609518) is 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide is CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide?
The InChIKey is UYWBUYSAXYOBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O4S2/c1-2-20(16,17)14-6-3-7-15-21(18,19)11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide?
5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide has a molecular weight of 403.30 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 60609518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).