5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide

C10H14BrFN2O4S — CID 106181683

IUPAC5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C10H14BrFN2O4S/c1-18-5-6(4-15)14-19(16,17)10-3-9(13)7(11)2-8(10)12/h2-3,6,14-15H,4-5,13H2,1H3
InChIKeyGREFZZLMCRAHFF-UHFFFAOYSA-N
MW357.20 g/mol
LogP0.46
Rot. Bonds6

About 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide

5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 106181683) has the molecular formula C10H14BrFN2O4S and a molecular weight of 357.20 g/mol. Its IUPAC name is 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
PubChem CID106181683
Molecular FormulaC10H14BrFN2O4S
Molecular Weight357.20 g/mol
Exact Mass355.98
IUPAC Name5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C10H14BrFN2O4S/c1-18-5-6(4-15)14-19(16,17)10-3-9(13)7(11)2-8(10)12/h2-3,6,14-15H,4-5,13H2,1H3
InChIKeyGREFZZLMCRAHFF-UHFFFAOYSA-N
XLogP0.46
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950
5-amino-4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 104889698
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide
CID 106181908
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106491310
5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 65022203
2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185831
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (CID 106181683) is 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is COCC(CO)NS(=O)(=O)c1cc(N)c(Br)cc1F.
What is the InChIKey of 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is GREFZZLMCRAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O4S/c1-18-5-6(4-15)14-19(16,17)10-3-9(13)7(11)2-8(10)12/h2-3,6,14-15H,4-5,13H2,1H3.
What are the key properties of 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 357.20 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106181683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).