5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C12H18BrFN2O3S — CID 79381757

IUPAC5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H18BrFN2O3S/c1-4-16(7-12(2,3)17)20(18,19)11-6-10(15)9(14)5-8(11)13/h5-6,17H,4,7,15H2,1-3H3
InChIKeyLTVAYMWCZZEBHZ-UHFFFAOYSA-N
MW369.26 g/mol
LogP1.95
Rot. Bonds5

About 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 79381757) has the molecular formula C12H18BrFN2O3S and a molecular weight of 369.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID79381757
Molecular FormulaC12H18BrFN2O3S
Molecular Weight369.26 g/mol
Exact Mass368.02
IUPAC Name5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H18BrFN2O3S/c1-4-16(7-12(2,3)17)20(18,19)11-6-10(15)9(14)5-8(11)13/h5-6,17H,4,7,15H2,1-3H3
InChIKeyLTVAYMWCZZEBHZ-UHFFFAOYSA-N
XLogP1.95
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114625910
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
4-bromo-3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 79378929
3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 79378930
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79380463
5-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 102990980
3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382428
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
2-amino-4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79382438
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274915
5-amino-4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 116530121

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 79381757) is 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is LTVAYMWCZZEBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O3S/c1-4-16(7-12(2,3)17)20(18,19)11-6-10(15)9(14)5-8(11)13/h5-6,17H,4,7,15H2,1-3H3.
What are the key properties of 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 369.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 79381757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).