2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide

C12H15BrFNO3S — CID 104953223

IUPAC2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO3S/c13-9-7-8(14)5-6-12(9)19(17,18)15-10-3-1-2-4-11(10)16/h5-7,10-11,15-16H,1-4H2/t10-,11-/m0/s1
InChIKeyGZYSVYJUIGKNFA-QWRGUYRKSA-N
MW352.23 g/mol
LogP2.17
Rot. Bonds3

About 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide

2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 104953223) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
PubChem CID104953223
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO3S/c13-9-7-8(14)5-6-12(9)19(17,18)15-10-3-1-2-4-11(10)16/h5-7,10-11,15-16H,1-4H2/t10-,11-/m0/s1
InChIKeyGZYSVYJUIGKNFA-QWRGUYRKSA-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 2-bromo-4-fluoro-N-[(1S,2S)-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-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 80713106
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide (CID 104953223) is 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is GZYSVYJUIGKNFA-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c13-9-7-8(14)5-6-12(9)19(17,18)15-10-3-1-2-4-11(10)16/h5-7,10-11,15-16H,1-4H2/t10-,11-/m0/s1.
What are the key properties of 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[(1S,2S)-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 2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 104953223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).