4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C11H15BrFNO3S — CID 113431383

IUPAC4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO3S/c1-8(2)17-6-5-14-18(15,16)9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyYOBAWOWYARQMFG-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.29
Rot. Bonds6

About 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide

4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 113431383) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID113431383
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC Name4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO3S/c1-8(2)17-6-5-14-18(15,16)9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyYOBAWOWYARQMFG-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
3-cyano-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104600681
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
3-(2-propan-2-yloxyethylsulfamoyl)benzenesulfonyl chloride
CID 104761565
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-(2-propan-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110602848
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 113431383) is 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCNS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is YOBAWOWYARQMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-8(2)17-6-5-14-18(15,16)9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 113431383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).