2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide

C10H13BrFNO4S — CID 66170192

IUPAC2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO4S/c1-10(15,6-14)5-13-18(16,17)9-3-2-7(12)4-8(9)11/h2-4,13-15H,5-6H2,1H3
InChIKeyQJGKOLMOCNQEAK-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.61
Rot. Bonds5

About 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide

2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide (PubChem CID 66170192) has the molecular formula C10H13BrFNO4S and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
PubChem CID66170192
Molecular FormulaC10H13BrFNO4S
Molecular Weight342.19 g/mol
Exact Mass340.97
IUPAC Name2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
SMILESCC(O)(CO)CNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO4S/c1-10(15,6-14)5-13-18(16,17)9-3-2-7(12)4-8(9)11/h2-4,13-15H,5-6H2,1H3
InChIKeyQJGKOLMOCNQEAK-UHFFFAOYSA-N
XLogP0.61
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835590
2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 66168567
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180968
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
4-amino-2-bromo-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289563

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide (CID 66170192) is 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide is CC(O)(CO)CNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide?
The InChIKey is QJGKOLMOCNQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO4S/c1-10(15,6-14)5-13-18(16,17)9-3-2-7(12)4-8(9)11/h2-4,13-15H,5-6H2,1H3.
What are the key properties of 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide?
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide has a molecular weight of 342.19 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 66170192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).