2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide

C12H15BrFNO2S — CID 62854427

IUPAC2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2S/c1-15(8-9-3-2-4-9)18(16,17)12-6-5-10(14)7-11(12)13/h5-7,9H,2-4,8H2,1H3
InChIKeyCLPJPTYHWLYSOT-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.01
Rot. Bonds4

About 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide

2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 62854427) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID62854427
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC Name2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2S/c1-15(8-9-3-2-4-9)18(16,17)12-6-5-10(14)7-11(12)13/h5-7,9H,2-4,8H2,1H3
InChIKeyCLPJPTYHWLYSOT-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63707428
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-bromo-N-cyclohexyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 55906746
2-bromo-N,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706922
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
N-(azetidin-3-yl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 66186864
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide (CID 62854427) is 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide is CN(CC1CCC1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is CLPJPTYHWLYSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c1-15(8-9-3-2-4-9)18(16,17)12-6-5-10(14)7-11(12)13/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide?
2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62854427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).