4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide

C12H15BrFNO3S — CID 116527714

IUPAC4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO3S/c13-8-5-6-12(9(14)7-8)19(17,18)15-10-3-1-2-4-11(10)16/h5-7,10-11,15-16H,1-4H2
InChIKeyTXWSVMNLJSDRDS-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.17
Rot. Bonds3

About 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 116527714) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
PubChem CID116527714
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO3S/c13-8-5-6-12(9(14)7-8)19(17,18)15-10-3-1-2-4-11(10)16/h5-7,10-11,15-16H,1-4H2
InChIKeyTXWSVMNLJSDRDS-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide 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

4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 116527392
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
4-bromo-2-fluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 116527739
4-bromo-2-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116528562

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide (CID 116527714) is 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is TXWSVMNLJSDRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c13-8-5-6-12(9(14)7-8)19(17,18)15-10-3-1-2-4-11(10)16/h5-7,10-11,15-16H,1-4H2.
What are the key properties of 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 352.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 116527714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).