4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C14H21BrFNO2S — CID 102907724

IUPAC4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C14H21BrFNO2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(15)7-13(14)16/h5-7,9-10,12,17H,8H2,1-4H3
InChIKeyLEJSJLGCVZVQAM-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.79
Rot. Bonds6

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

4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102907724) has the molecular formula C14H21BrFNO2S and a molecular weight of 366.30 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102907724
Molecular FormulaC14H21BrFNO2S
Molecular Weight366.30 g/mol
Exact Mass365.05
IUPAC Name4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(Br)cc1F)C(C)C
InChIInChI=1S/C14H21BrFNO2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(15)7-13(14)16/h5-7,9-10,12,17H,8H2,1-4H3
InChIKeyLEJSJLGCVZVQAM-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 116527730
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-(2-bromo-3-ethylpentyl)-2-fluorobenzenesulfonamide
CID 106288659
4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
CID 116530073
4-bromo-2-fluoro-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 116528435
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
methyl 2-bromo-3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 103493671
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102907724) is 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(Br)cc1F)C(C)C.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is LEJSJLGCVZVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO2S/c1-9(2)12(10(3)4)8-17-20(18,19)14-6-5-11(15)7-13(14)16/h5-7,9-10,12,17H,8H2,1-4H3.
What are the key properties of 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 366.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102907724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).