2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide

C9H12BrFN2O4S — CID 106491866

IUPAC2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C9H12BrFN2O4S/c10-6-1-9(8(12)2-7(6)11)18(16,17)13-5(3-14)4-15/h1-2,5,13-15H,3-4,12H2
InChIKeyGTRWJUKRJLMEOV-UHFFFAOYSA-N
MW343.17 g/mol
LogP-0.20
Rot. Bonds5

About 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 106491866) has the molecular formula C9H12BrFN2O4S and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
PubChem CID106491866
Molecular FormulaC9H12BrFN2O4S
Molecular Weight343.17 g/mol
Exact Mass341.97
IUPAC Name2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C9H12BrFN2O4S/c10-6-1-9(8(12)2-7(6)11)18(16,17)13-5(3-14)4-15/h1-2,5,13-15H,3-4,12H2
InChIKeyGTRWJUKRJLMEOV-UHFFFAOYSA-N
XLogP-0.20
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 65310162
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106491310
2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 106491894
5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181683
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
2-amino-5-bromo-4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107864446
2-amino-5-bromo-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 106308718

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide (CID 106491866) is 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)NC(CO)CO.
What is the InChIKey of 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is GTRWJUKRJLMEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O4S/c10-6-1-9(8(12)2-7(6)11)18(16,17)13-5(3-14)4-15/h1-2,5,13-15H,3-4,12H2.
What are the key properties of 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 343.17 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).