2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide

C11H13BrFNO2S — CID 115672165

IUPAC2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C11H13BrFNO2S/c1-7-4-9(5-7)14-17(15,16)11-3-2-8(13)6-10(11)12/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyLFFKMCJQIAPNRZ-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.66
Rot. Bonds3

About 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide

2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 115672165) has the molecular formula C11H13BrFNO2S and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID115672165
Molecular FormulaC11H13BrFNO2S
Molecular Weight322.20 g/mol
Exact Mass320.98
IUPAC Name2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(F)cc2Br)C1
InChIInChI=1S/C11H13BrFNO2S/c1-7-4-9(5-7)14-17(15,16)11-3-2-8(13)6-10(11)12/h2-3,6-7,9,14H,4-5H2,1H3
InChIKeyLFFKMCJQIAPNRZ-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
5-fluoro-N-(3-methylcyclobutyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921001
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
2-bromo-4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 61142760
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 116529174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide (CID 115672165) is 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2ccc(F)cc2Br)C1.
What is the InChIKey of 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is LFFKMCJQIAPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2S/c1-7-4-9(5-7)14-17(15,16)11-3-2-8(13)6-10(11)12/h2-3,6-7,9,14H,4-5H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 322.20 g/mol, XLogP of 2.66, 3 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-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 115672165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).