2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

C11H17BrN2O3S — CID 97331120

IUPAC2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1cc(N(C)C)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-8(7-15)13-18(16,17)11-6-9(14(2)3)4-5-10(11)12/h4-6,8,13,15H,7H2,1-3H3/t8-/m1/s1
InChIKeyXYDJGIWIEKQLPU-MRVPVSSYSA-N
MW337.24 g/mol
LogP1.17
Rot. Bonds5

About 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 97331120) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID97331120
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1cc(N(C)C)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-8(7-15)13-18(16,17)11-6-9(14(2)3)4-5-10(11)12/h4-6,8,13,15H,7H2,1-3H3/t8-/m1/s1
InChIKeyXYDJGIWIEKQLPU-MRVPVSSYSA-N
XLogP1.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide
CID 71913427
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 107212467
2-bromo-5-(dimethylamino)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716100
4-bromo-3-(4-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 83176533
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
2,5-dibromo-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 97331120) is 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@H](CO)NS(=O)(=O)c1cc(N(C)C)ccc1Br.
What is the InChIKey of 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is XYDJGIWIEKQLPU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-8(7-15)13-18(16,17)11-6-9(14(2)3)4-5-10(11)12/h4-6,8,13,15H,7H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 97331120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).