2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide

C12H15BrFNO2S — CID 113338285

IUPAC2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)C1CCC1
InChIInChI=1S/C12H15BrFNO2S/c1-8(9-3-2-4-9)15-18(16,17)12-6-5-10(14)7-11(12)13/h5-9,15H,2-4H2,1H3
InChIKeyHCYVQESKSWKHCC-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.06
Rot. Bonds4

About 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide

2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide (PubChem CID 113338285) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
PubChem CID113338285
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC Name2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)C1CCC1
InChIInChI=1S/C12H15BrFNO2S/c1-8(9-3-2-4-9)15-18(16,17)12-6-5-10(14)7-11(12)13/h5-9,15H,2-4H2,1H3
InChIKeyHCYVQESKSWKHCC-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
3-N-(1-cyclobutylethyl)benzene-1,3-disulfonamide
CID 115767059

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide (CID 113338285) is 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1Br)C1CCC1.
What is the InChIKey of 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide?
The InChIKey is HCYVQESKSWKHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c1-8(9-3-2-4-9)15-18(16,17)12-6-5-10(14)7-11(12)13/h5-9,15H,2-4H2,1H3.
What are the key properties of 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide?
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113338285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).