5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide

C11H15BrFNO2S — CID 52821008

IUPAC5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO2S/c1-8(2)5-6-14-17(15,16)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyWOYYGHSIHODCMV-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.91
Rot. Bonds5

About 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide

5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 52821008) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
PubChem CID52821008
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO2S/c1-8(2)5-6-14-17(15,16)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyWOYYGHSIHODCMV-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
CID 60609518
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
4-bromo-2-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 104919371
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide (CID 52821008) is 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is WOYYGHSIHODCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-8(2)5-6-14-17(15,16)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide?
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 52821008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).