2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide

C11H15BrFNO2S — CID 47257541

IUPAC2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-7(2)8(3)14-17(15,16)11-5-4-9(13)6-10(11)12/h4-8,14H,1-3H3
InChIKeyBAYTUKCWCCBXGW-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.91
Rot. Bonds4

About 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide

2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 47257541) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID47257541
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-7(2)8(3)14-17(15,16)11-5-4-9(13)6-10(11)12/h4-8,14H,1-3H3
InChIKeyBAYTUKCWCCBXGW-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304636
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 47309798
2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61060737
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 47257541) is 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is BAYTUKCWCCBXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-7(2)8(3)14-17(15,16)11-5-4-9(13)6-10(11)12/h4-8,14H,1-3H3.
What are the key properties of 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 47257541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).